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

CAS: 445267-51-6 Cat. No.: W424033 Summenformel: C₂₂H₂₀N₄O₄S Molekulargewicht: 436.48 PubChem CID: 1003810

QUALITÄT & REINHEIT 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

inhibitors of Rho kinase

Spezifikationen

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528767890

Kanonisches Lächeln

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)

Isomere 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

Molekulargewicht

436.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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