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

CAS: 354562-75-7 Cat. No.: W417860 Formula: C₁₂H₁₀N₂OS₂ Peso molecolare: 262.4 PubChem CID: 760981

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

FLT3 inhibitor

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

• ALogP: 2.865
• Conteggio HBD: 1
• Legame rotabile: 1

Nomi e identificatori

• Pubchem Sid: 504760109
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760109
• Sorrisi canonici: 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)
• Isomeri SMILES: CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=CS3)C
• PubChem CID: 760981
• Peso molecolare: 262.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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