Corr4A , CAS No.421580-53-2

CAS: 421580-53-2 Cat. No.: C668605 Formule: C₂₁H₁₇ClN₄O₂S₂ Poids moléculaire: 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-1,3-THIAZOL-2'-YL)BENZAMIDE|N-(2-((5-chloro-2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)benzamide|N-{2-[(5-chloro-2-methoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}benzamide|Corrector C 4|Corrector C-4|Corr 4a|N-[2-(5-Chloro-2-methoxyphenylamino)-4'-methyl-[4,5']bithiazolyl-2'-yl]benzamide|N-(5-{2-[(5-CHLORO-2-METHOXYPHENYL)AMINO]-1,3-THIAZOL-4-YL}-4-METHYL-1,3-THIAZOL-2-YL)BENZAMIDE|N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

Storage

Room temperature

Spécifications

Synonymes

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-1,3-THIAZOL-2'-YL)BENZAMIDE | N-(2-((5-chloro-2-methoxyphenyl)amino)-4'-methyl-[4,5'- Afficher plus

Conditions de stockage de stockage

Room temperature

Type d'action

MODULATOR

Propriétés du produit

ALogP

5.7

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C3=CSC(=N3)NC4=C(C=CC(=C4)Cl)OC

PubChem CID

1144671

Poids moléculaire

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
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.