WAY-641018 - ≥98% , CAS No.354562-75-7

CAS: 354562-75-7 Cat. No.: W417860 Summenformel: C₁₂H₁₀N₂OS₂ Molekulargewicht: 262.4 PubChem CID: 760981

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

FLT3 inhibitor

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Produkteigenschaften

• ALogP: 2.865
• HBD-Zahl: 1
• Rotationsfähige Bindung: 1

Namen und Kennungen

• Pubchem Sid: 504760109
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760109
• Kanonisches Lächeln: CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=CS3)C
• IUPAC Name: 5,6-dimethyl-2-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
• InChIKey: PXOKBYJGEFZQNS-UHFFFAOYSA-N
• INCHI: 1S/C12H10N2OS2/c1-6-7(2)17-12-9(6)11(15)13-10(14-12)8-4-3-5-16-8/h3-5H,1-2H3,(H,13,14,15)
• Isomere SMILES: CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=CS3)C
• PubChem CID: 760981
• Molekulargewicht: 262.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: Pyrimidones Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 262.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 262.023 Da
• Monoisotopic Mass: 262.023 Da
• Topological Polar Surface Area: 97.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 372.000
• 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