WAY-270968 - 10mM in DMSO , CAS No.421578-46-3

CAS: 421578-46-3 Cat. No.: W423908 Summenformel: C₁₆H₁₃FN₂OS₂ Molekulargewicht: 332.42 PubChem CID: 696861

QUALITÄT & REINHEIT 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

p38 MAP Kinase inhibitor

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.

Produkteigenschaften

ALogP

4.286

Rotationsfähige Bindung

4

Namen und Kennungen

Pubchem Sid

528767747

Kanonisches Lächeln

CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=CC=C(C=C3)F)C

IUPAC Name

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone

InChIKey

UGHHFQVLSOSMQA-UHFFFAOYSA-N

INCHI

1S/C16H13FN2OS2/c1-9-10(2)22-16-14(9)15(18-8-19-16)21-7-13(20)11-3-5-12(17)6-4-11/h3-6,8H,7H2,1-2H3

Isomere SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=CC=C(C=C3)F)C

PubChem CID

696861

Molekulargewicht

332.42

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: Thienopyrimidines Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Aryl fluorides Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Thiophenes Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Thienopyrimidine - Aryl thioether - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen 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: 332.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 332.045 Da
• Monoisotopic Mass: 332.045 Da
• Topological Polar Surface Area: 96.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 404.000
• 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