WAY-606956 - ≥98% , CAS No.748145-19-9

CAS: 748145-19-9 Cat. No.: W418185 Summenformel: C₁₈H₂₀N₄O Molekulargewicht: 308.383 PubChem CID: 3809721

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Übersicht

inhibitor of GSK3 kinases

Specifications

Synonyme

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

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

1.793

HBD-Zahl

2

Rotationsfähige Bindung

1

Namen und Kennungen

Pubchem Sid

488194582

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194582

Kanonisches Lächeln

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)

Isomere SMILES

CC1=C2C(C3=C(CC(CC3=O)(C)C)NC2=NN1)C4=CN=CC=C4

PubChem CID

3809721

Molekulargewicht

308.383

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones
            • Ebene7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 748145-19-9, the molecular formula is C18H20N4O, and the molecular weight is 308.383 g/mol. InChIKey GKEYTFDKZJPLCV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.