WAY-322940 - ≥98% , CAS No.445267-51-6

CAS: 445267-51-6 Cat. No.: W418079 Formule: C₂₂H₂₀N₄O₄S Poids moléculaire: 436.48 PubChem CID: 1003810

GRADE & PURITY ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

inhibitors of Rho kinase

Specifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488191699
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191699
• Sourires canoniques: COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N
• IUPAC Name: 3-amino-6-pyridin-4-yl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
• InChIKey: SQHJDAVFCVMSCG-UHFFFAOYSA-N
• INCHI: 1S/C22H20N4O4S/c1-28-16-10-13(11-17(29-2)19(16)30-3)25-21(27)20-18(23)14-4-5-15(26-22(14)31-20)12-6-8-24-9-7-12/h4-11H,23H2,1-3H3,(H,25,27)
• Isomères SMILES: COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N
• PubChem CID: 1003810
• Poids moléculaire: 436.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Bipyridines and oligopyridines Methoxyanilines Thienopyridines Pyridinecarboxamides 2-heteroaryl carboxamides Anisoles Thiophene carboxamides Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aminothiophenes Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Bipyridine - Pyridinecarboxamide - Thienopyridine - Methoxyaniline - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Pyridine - Aminothiophene - Vinylogous amide - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 436.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 436.121 Da
• Monoisotopic Mass: 436.121 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 594.000
• 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