WAY-322940 - 10mM in DMSO , CAS No.445267-51-6

CAS: 445267-51-6 Cat. No.: W424033 Molecular Weight: 436.48 PubChem CID: 1003810

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

inhibitors of Rho kinase

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Pubchem Sid: 528767890
• Canonical Smiles: 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)
• Isomeric 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
• Molecular Weight: 436.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Chemical and Physical Properties

• Molecular Weight: 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