WAY-357919 - 10mM in DMSO , CAS No.298207-77-9

CAS: 298207-77-9 Cat. No.: W423063 Summenformel: C₁₈H₁₆N₂O₂S Molekulargewicht: 324.40 EG-Nummer: 159-017-8 PubChem CID: 722913

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

inhibitor of vascular endothelial growth factor receptor-2

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: 4.334
• Rotationsfähige Bindung: 3

Namen und Kennungen

• Pubchem Sid: 528768061
• Kanonisches Lächeln: CC(=O)C1=CC(=CC=C1)OC2=C3C4=C(CCCC4)SC3=NC=N2
• IUPAC Name: 1-[3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxy)phenyl]ethanone
• InChIKey: STAQHFQLHGDVFW-UHFFFAOYSA-N
• INCHI: 1S/C18H16N2O2S/c1-11(21)12-5-4-6-13(9-12)22-17-16-14-7-2-3-8-15(14)23-18(16)20-10-19-17/h4-6,9-10H,2-3,7-8H2,1H3
• Isomere SMILES: CC(=O)C1=CC(=CC=C1)OC2=C3C4=C(CCCC4)SC3=NC=N2
• PubChem CID: 722913
• Molekulargewicht: 324.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Diarylethers Thienopyrimidines Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Pyrimidines and pyrimidine derivatives Thiophenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Diaryl ether - Acetophenone - Thienopyrimidine - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 324.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 324.093 Da
• Monoisotopic Mass: 324.093 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 447.000
• 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