Corr4A , CAS No.421580-53-2

CAS: 421580-53-2 Cat. No.: C668605 Formula: C₂₁H₁₇ClN₄O₂S₂ Peso molecolare: 457 PubChem CID: 1144671

Synonyms

Corr4A | Corrector C4 | Corr-4a | N-[5-[2-(5-Chloro-2-methoxy-anilino)thiazol-4-yl]-4-methyl-thiazol-2-yl]benzamide | N-(2-(5-Chloro-2-methoxyphenylamino)-4'-methyl-4,5'-bithiazol-2'-yl)benzamide | N-(2-[(5-CHLORO-2-METHOXYPHENYL)AMINO]-4'-METHYL-4,5'-BI-

Storage

Room temperature

Specifications

Sinonimi

Corr4A | Corrector C4 | Corr-4a | N-[5-[2-(5-Chloro-2-methoxy-anilino)thiazol-4-yl]-4-methyl-thiazol-2-yl]benzamide | N-(2-(5-Chloro-2-methoxyphenylamino)-4'-methyl-4,5'-bithiazol-2'-yl)benzamide | N-(2-[(5-CHLORO-2-METHOXYPHENYL)AMINO]-4'-METHYL-4,5'-BI-

Condizioni di conservazione di stoccaggio

Room temperature

Tipo di azione

MODULATOR

Proprietà del prodotto

• ALogP: 5.7

Nomi e identificatori

• Sorrisi canonici: CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=CC(=C4)Cl)OC
• IUPAC Name: N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
• InChIKey: RDOBOPJBMQURAT-UHFFFAOYSA-N
• INCHI: 1S/C21H17ClN4O2S2/c1-12-18(30-21(23-12)26-19(27)13-6-4-3-5-7-13)16-11-29-20(25-16)24-15-10-14(22)8-9-17(15)28-2/h3-11H,1-2H3,(H,24,25)(H,23,26,27)
• Isomeri SMILES: CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=CC(=C4)Cl)OC
• PubChem CID: 1144671
• Peso molecolare: 457

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Methoxyanilines 2,4,5-trisubstituted thiazoles Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Methoxyaniline - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Thiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Amine - Organopnictogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 457.000 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 456.048 Da
• Monoisotopic Mass: 456.048 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 583.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 421580-53-2, the molecular formula is C21H17ClN4O2S2, and the molecular weight is 457 g/mol. InChIKey RDOBOPJBMQURAT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.