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3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid | CAS No. 136668-42-3

3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

Basic Information

Chemical_Structure_Of
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CAS Number

136668-42-3

Molecular Formula

C34H35ClN2O3S

Molecular Weight

587.19 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

751.3°Cat760mmHg

Flash Point

408.2°C

Solubility

Insuluble (1.1E-6 g/L) (25 ºC),

Refractive Index

1.617

SMILES

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CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)O

InChI

InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)

InChIKey

NZOONKHCNQFYCI-UHFFFAOYSA-N

LogP

9.014100000000001

Topological Polar Surface Area

64.35000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

873

Synonyms & References

English

  • 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid
  • F84868
  • NCGC00379068-01
  • NZOONKHCNQFYCI-UHFFFAOYSA-N
  • MS-30490
  • 136668-42-3
  • 2q7m
  • 3-[N-(p-Chlorobenzyl)-3-(t-butylthio)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2, 2-dimethylpropanoic acid
  • 3-[3-(Tert-Butylthio)-1-(4-Chlorobenzyl)-5-(Quinolin-2-Ylmethoxy)-1h-Indol-2-Yl]-2,2-Dimethylpropanoic Acid
  • MK591 free acid
  • Quiflapon
  • Quiflapon free acid
  • L-686,708
  • SCHEMBL502947
  • 3-(tert-Butylthio)-1-(p-chlorobenzyl)-alpha,alpha-dimethyl-5-(2-quinolylmethoxy)indole-2-propionic acid
  • 1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-
  • HMS3747O19
  • MK0591
  • MK 591
  • L-686708
  • 3-[3-(1,1-dimethylethylthio)-5-(quinolin-2-ylmethoxy)-1-(4-chlorophenylmethyl)indol-2-yl]-2,2-dimethylpropionic acid
  • 3-[n-(p-chlorobenzyl)-3-(t-butylthio)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
  • FT-0716626
  • 2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2-methyl-propionic acid
  • EX-A5139
  • AC-36773
  • Q27271487
  • BRD-K39503511-001-01-3
  • MK-0591
  • BDBM50029559
  • 9295C885I4

MDL Number

MFCD00900782

FAQ

What is 3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid (CAS: 136668-42-3)?
3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid is a complex organic compound with a unique structural formula. It is used primarily in pharmaceutical research for the development of potential therapeutic agents. This compound exhibits specific pharmacological activities, making it a valuable tool in medicinal chemistry.

What are the main uses of 3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid (CAS: 136668-42-3)?
3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid is primarily used in pharmaceutical research for developing new drugs. It is used to explore its potential as an inhibitor or activator in various biological pathways, contributing to the advancement of drug discovery and development.

Is 3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid (CAS: 136668-42-3) safe?
Safety depends on the intended use and handling conditions. 3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid is considered safe when handled with appropriate precautions. Users should follow standard safety protocols, including wearing protective gloves and goggles, and avoid contact with eyes and skin. Appropriate laboratory practices and storage conditions should be adhered to ensure safety.

How should 3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid (CAS: 136668-42-3) be stored?
This compound should be stored in a cool, dry place away from direct sunlight and heat. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions include maintaining a temperature below 25°C and a relative humidity of less than 60%. Proper ventilation should be ensured to avoid the risk of fire or explosion. Exposure to air and moisture should be minimized to preserve the compound's integrity.

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3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid — Shanghai Yuyeh Biotechnology Co., Ltd.

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3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid — Shanghai Jixiang Biotechnology Co., Ltd.

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3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid — HePeng （ ShangHai ） Biotechnology Co Ltd

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3-[1-(4-Chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid — ShangHaiJiZhiShengHua Technology Co Ltd

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