ChemSpider 2D Image | 4'-[3-({4-[(Cyclopropylamino)methyl]phenyl}amino)-1H-pyrazol-5-yl]-2,4-biphenyldiol | C25H24N4O2

4'-[3-({4-[(Cyclopropylamino)methyl]phenyl}amino)-1H-pyrazol-5-yl]-2,4-biphenyldiol

  • Molecular FormulaC25H24N4O2
  • Average mass412.484 Da
  • Monoisotopic mass412.189911 Da
  • ChemSpider ID23300565

More details:

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

[1,1'-Biphenyl]-2,4-diol, 4'-[3-[[4-[(cyclopropylamino)methyl]phenyl]amino]-1H-pyrazol-5-yl]- [ACD/Index Name]
4'-[3-({4-[(Cyclopropylamino)methyl]phenyl}amino)-1H-pyrazol-5-yl]-2,4-biphenyldiol [German] [ACD/IUPAC Name]
4'-[3-({4-[(Cyclopropylamino)methyl]phenyl}amino)-1H-pyrazol-5-yl]-2,4-biphenyldiol [ACD/IUPAC Name]
4'-[3-({4-[(Cyclopropylamino)méthyl]phényl}amino)-1H-pyrazol-5-yl]-2,4-biphényldiol [French] [ACD/IUPAC Name]
4'-[3-({4-[(cyclopropylamino)methyl]phenyl}amino)-1H-pyrazol-5-yl]biphenyl-2,4-diol
4'-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1H-pyrazol-3-yl]-[1,1'-biphenyl]-2,4-diol
[1,1'-Biphenyl]-2,4-diol, 4'-[5-[[4-[(cyclopropylamino)methyl]phenyl]amino]-1H-pyrazol-3-yl]-
[838823-31-7] [RN]
4'-(5-((4-((Cyclopropylamino)methyl)phenyl)amino)-1H-pyrazol-3-yl)-[1,1'-biphenyl]-2,4-diol
4-[4-[3-[4-[(cyclopropylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
More...

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

GR 38032 | [DBID]
UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Checkpoint Kinases Tocris Bioscience 3038
      Enzymes Tocris Bioscience 3038
      Kinases Tocris Bioscience 3038
      Potent and selective checkpoint kinase 1 (chk1) inhibitor (Ki = 0.38 nM, EC50 = 60 nM). Enhances the cell killing activity of Gemcitabine (Cat. No. 3259) in breast and prostate cancer cell lines and d isplays antiproliferative effects in vitro. Tocris Bioscience 3038
      Potent and selective checkpoint kinase 1 (chk1) inhibitor (Ki = 0.38 nM, EC50 = 60 nM). Enhances the cell killing activity of Gemcitabine (Cat. No. 3259) in breast and prostate cancer cell lines and displays antiproliferative effects in vitro. Tocris Bioscience 3038
      Potent Chk1 inhibitor Tocris Bioscience 3038

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

Density: 1.4±0.1 g/cm3
Boiling Point: 739.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 401.1±32.9 °C
Index of Refraction: 1.739
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.49
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 28.84
ACD/KOC (pH 7.4): 183.61
Polar Surface Area: 93 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 82.3±5.0 dyne/cm
Molar Volume: 296.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement