WAY-606956 - 10mM in DMSO , CAS No.748145-19-9

CAS: 748145-19-9 Cat. No.: W425814 Formula: C₁₈H₂₀N₄O Peso molecolare: 308.383 PubChem CID: 3809721

GRADE & PURITY 10mM in DMSO

Synonyms

3,7,7-Trimethyl-4-(pyridin-3-yl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one | HY-155989 | 4W-0419 | 3,7,7-trimethyl-4-(pyridin-3-yl)-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one | 3,7,7-trimethyl-4-pyridin-3-yl-4,6,8,9-tetrahydro-2H-pyra

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

inhibitor of GSK3 kinases

Specifications

Sinonimi

3,7,7-Trimethyl-4-(pyridin-3-yl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one | HY-155989 | 4W-0419 | 3,7,7-trimethyl-4-(pyridin-3-yl)-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one | 3,7,7-trimethyl-4-pyridin-3-yl-4,6,8,9-tetrahydro-2H-pyra

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Proprietà del prodotto

• ALogP: 1.793
• Conteggio HBD: 2
• Legame rotabile: 1

Nomi e identificatori

• Pubchem Sid: 528768148
• Sorrisi canonici: CC1=C2C(C3=C(CC(CC3=O)(C)C)NC2=NN1)C4=CN=CC=C4
• IUPAC Name: 3,7,7-trimethyl-4-pyridin-3-yl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
• InChIKey: GKEYTFDKZJPLCV-UHFFFAOYSA-N
• INCHI: 1S/C18H20N4O/c1-10-14-15(11-5-4-6-19-9-11)16-12(20-17(14)22-21-10)7-18(2,3)8-13(16)23/h4-6,9,15H,7-8H2,1-3H3,(H2,20,21,22)
• Isomeri SMILES: CC1=C2C(C3=C(CC(CC3=O)(C)C)NC2=NN1)C4=CN=CC=C4
• PubChem CID: 3809721
• Peso molecolare: 308.383

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones
• Direct Parent: Cyclohexenones
• Alternative Parents: Pyridines and derivatives Imidolactams Pyrazolines Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cyclohexenone - Pyridine - Imidolactam - Pyrazoline - Heteroaromatic compound - Carboxylic acid amidrazone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
• 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: 308.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 308.164 Da
• Monoisotopic Mass: 308.164 Da
• Topological Polar Surface Area: 70.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 541.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1