WAY-608168 - 10mM in DMSO , CAS No.442557-68-8

CAS: 442557-68-8 Cat. No.: W423997 Summenformel: C₁₈H₂₁N₃O₂S Molekulargewicht: 343.44 PubChem CID: 950395

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

PLC inhibitor

Specifications

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.

Produkteigenschaften

ALogP

2.88

HBD-Zahl

2

Rotationsfähige Bindung

2

Namen und Kennungen

Pubchem Sid

528768179

Kanonisches Lächeln

C1CCC(CC1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N

IUPAC Name

3-amino-N-cyclohexyl-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

InChIKey

URYIYZPHVIWUDU-UHFFFAOYSA-N

INCHI

1S/C18H21N3O2S/c19-15-12-9-11-13(7-4-8-14(11)22)21-18(12)24-16(15)17(23)20-10-5-2-1-3-6-10/h9-10H,1-8,19H2,(H,20,23)

Isomere SMILES

C1CCC(CC1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N

PubChem CID

950395

Molekulargewicht

343.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: Thiophene carboxamides Aryl alkyl ketones 2-heteroaryl carboxamides Pyridines and derivatives Aminothiophenes Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Aminothiophene - Pyridine - Heteroaromatic compound - Thiophene - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 343.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 343.135 Da
• Monoisotopic Mass: 343.135 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 508.000
• 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