ChemSpider 2D Image | 7-Benzyl-1-[3-(1-piperidinyl)propyl]-2-[4-(4-pyridinyl)phenyl]-1,5-dihydro-6H-imidazo[4,5-g]quinoxalin-6-one | C35H34N6O

7-Benzyl-1-[3-(1-piperidinyl)propyl]-2-[4-(4-pyridinyl)phenyl]-1,5-dihydro-6H-imidazo[4,5-g]quinoxalin-6-one

  • Molecular FormulaC35H34N6O
  • Average mass554.684 Da
  • Monoisotopic mass554.279419 Da
  • ChemSpider ID32739402

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6H-Imidazo[4,5-g]quinoxalin-6-one, 1,5-dihydro-7-(phenylmethyl)-1-[3-(1-piperidinyl)propyl]-2-[4-(4-pyridinyl)phenyl]- [ACD/Index Name]
7-Benzyl-1-[3-(1-piperidinyl)propyl]-2-[4-(4-pyridinyl)phenyl]-1,5-dihydro-6H-imidazo[4,5-g]chinoxalin-6-on [German] [ACD/IUPAC Name]
7-Benzyl-1-[3-(1-piperidinyl)propyl]-2-[4-(4-pyridinyl)phenyl]-1,5-dihydro-6H-imidazo[4,5-g]quinoxalin-6-one [ACD/IUPAC Name]
7-Benzyl-1-[3-(1-pipéridinyl)propyl]-2-[4-(4-pyridinyl)phényl]-1,5-dihydro-6H-imidazo[4,5-g]quinoxalin-6-one [French] [ACD/IUPAC Name]
[1265822-30-7] [RN]
1265822-30-7 [RN]
50995-74-9 [RN]
CID 49870925
CTA 056
cta056
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 4726
      Interleukin-2-inducible T-cell kinase (ITK) inhibitor (IC50 values are 0.1, 0.4 and 5 ?M for ITK, BTK and ETK, respectively). Inhibits growth of cancer cells expressing ITK, including MOLT-4 and Jurka t cells in vitro. Induces apoptosis in Jurkat cells. Inhibits MOLT-4 xenograft tumor growth in mice. Tocris Bioscience 4726
      Interleukin-2-inducible T-cell kinase (ITK) inhibitor (IC50 values are 0.1, 0.4 and 5 ?M for ITK, BTK and ETK, respectively). Inhibits growth of cancer cells expressing ITK, including MOLT-4 and Jurkat cells in vitro. Induces apoptosis in Jurkat cells. Inhibits MOLT-4 xenograft tumor growth in mice. Tocris Bioscience 4726
      Interleukin-2-inducible T-cell kinase (ITK) inhibitor (IC50 values are 0.1, 0.4 and 5 muM for ITK, BTK and ETK, respectively). Inhibits growth of cancer cells expressing ITK, including MOLT-4 and Jurkat cells in vitro. Induces apoptosis in Jurkat cells. Inhibits MOLT-4 xenograft tumor growth in mice. Tocris Bioscience 4726
      ITK Tocris Bioscience 4726
      ITK inhibitor Tocris Bioscience 4726
      Kinases Tocris Bioscience 4726

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 167.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 75 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 433.1±7.0 cm3

Click to predict properties on the Chemicalize site


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