{4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl}acetic acid | CAS No. 802904-66-1

{4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl}acetic acid

Basic Information

CAS Number

802904-66-1

Molecular Formula

C19H17ClN2O3S

Molecular Weight

388.88 g/mol

AD

Basic Physical Properties

Cc1c(c2c(cccc2n1CC(=O)O)NC(=O)C)Sc3ccc(cc3)Cl

InChI

InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)

InChIKey

JWYIGNODXSRKGP-UHFFFAOYSA-N

LogP

4.797320000000002

Topological Polar Surface Area

71.33000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

527

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • AZD1981
  • 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
  • AZD-1981
  • 1H-Indole-1-acetic acid,4-(acetylamino)-3-((4-chlorophenyl)thio)-2-methyl
  • UNII-2AD53WQ2CX
  • AZD 1981
  • 2AD53WQ2CX
  • 2-(4-Acetamido-3-((4-chlorophenyl)thio)-2-methyl-1H-indol-1-yl)acetic acid
  • 1H-Indole-1-acetic acid, 4-(acetylamino)-3-((4-chlorophenyl)thio)-2-methyl-
  • 1H-Indole-1-acetic acid, 4-(acetylamino)-3-[(4-chlorophenyl)thio]-2-methyl-
  • JWYIGNODXSRKGP-UHFFFAOYSA-N
  • GTPL7680
  • HMS3653A06
  • BCP20957
  • s7263
  • BDBM50357

MDL Number

MFCD26936340

FAQ

What regulatory guidelines apply to [4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl]acetic acid (CAS: 802904-66-1)?

The compound [4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl]acetic acid (CAS: 802904-66-1) must comply with GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for hazardous substance classification and labeling. It should also adhere to REACH regulations for the registration of chemicals in the European Union. In the United States, FDA and EPA may have additional requirements based on its intended use and properties.

Are there alternatives to [4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl]acetic acid in synthesis (CAS: 802904-66-1)?

Yes, there are alternatives to [4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl]acetic acid (CAS: 802904-66-1) in synthesis. Common analogs include other indole derivatives featuring different functional groups. Alternative reagents such as other amines or sulfides can be used as substitutes depending on the specific reaction conditions and desired product.

What is the market or research trend for [4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl]acetic acid (CAS: 802904-66-1)?

The market for [4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl]acetic acid (CAS: 802904-66-1) is currently growing, driven by increasing demand in pharmaceutical and biotech industries. Research trends indicate a focus on its potential applications in drug discovery and development, particularly in areas such as anticancer and anti-inflammatory treatments. Market dynamics suggest a steady expansion in research funding and product development.

How should waste containing [4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl]acetic acid (CAS: 802904-66-1) be handled?

Waste containing [4-Acetamido-3-[(4-chlorophenyl)sulfanyl]-2-methyl-1H-indol-1-yl]acetic acid (CAS: 802904-66-1) should be collected in appropriate containers and stored separately. Disposal should follow local and international regulations. Incineration is a common method for waste disposal, but professional waste disposal services should be considered for safe handling. Environmental protection measures include minimizing waste generation and proper labeling of waste materials to ensure safe transportation and disposal.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...