ChemSpider 2D Image | SCH 529074 | C31H36Cl2N6

SCH 529074

  • Molecular FormulaC31H36Cl2N6
  • Average mass563.564 Da
  • Monoisotopic mass562.237854 Da
  • ChemSpider ID10174389

More details:

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

1,3-Propanediamine, N3-[2-[[4-[bis(4-chlorophenyl)methyl]-1-piperazinyl]methyl]-4-quinazolinyl]-N1,N1-dimethyl- [ACD/Index Name]
922150-11-6 [RN]
N'-[2-({4-[Bis(4-chlorophenyl)methyl]-1-piperazinyl}methyl)-4-quinazolinyl]-N,N-dimethyl-1,3-propanediamine [ACD/IUPAC Name]
N'-[2-({4-[Bis(4-chlorophényl)méthyl]-1-pipérazinyl}méthyl)-4-quinazolinyl]-N,N-diméthyl-1,3-propanediamine [French] [ACD/IUPAC Name]
N'-[2-({4-[Bis(4-chlorphenyl)methyl]-1-piperazinyl}methyl)-4-chinazolinyl]-N,N-dimethyl-1,3-propandiamin [German] [ACD/IUPAC Name]
SCH 529074
(3-{[2-({4-[bis(4-chlorophenyl)methyl]piperazin-1-yl}methyl)quinazolin-4-yl]amino}propyl)dimethylamine
1,3-Propanediamine, N3-[2-[[4-[bis(4-chlorophenyl)methyl]-1-piperazinyl]methyl]-4-quinazolinyl]-N1,N1-dimethyl-
2-({4-[BIS(4-CHLOROPHENYL)METHYL]PIPERAZIN-1-YL}METHYL)-N-[3-(DIMETHYLAMINO)PROPYL]QUINAZOLIN-4-AMINE
N-[2-[[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
More...

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

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      Soluble to 100 mM in ethanol and to 10 mM in DMSO Tocris Bioscience 4240
      Soluble to 100 mM in ethanol and to 10 mM in DMSO with sonication Tocris Bioscience 4240
  • Miscellaneous

    • Bio Activity:

      Cell Biology Tocris Bioscience 4240
      Cell Cycle Tocris Bioscience 4240
      p53 Tocris Bioscience 4240
      Restores mutant p53 activity Tocris Bioscience 4240
      Restores mutant p53 activity. Binds p53 DNA binding domain (Kd = 1-2 ?M) and restores wild-type function to many oncogenic mutants by acting as a chaperone. Inhibits ubiquitination of p53 by HDM2. Tri ggers apoptosis in tumor cell lines and reduces tumor growth in a xenograft model. Tocris Bioscience 4240
      Restores mutant p53 activity. Binds p53 DNA binding domain (Kd = 1-2 ?M) and restores wild-type function to many oncogenic mutants by acting as a chaperone. Inhibits ubiquitination of p53 by HDM2. Triggers apoptosis in tumor cell lines and reduces tumor growth in a xenograft model. Tocris Bioscience 4240
      Restores mutant p53 activity. Binds p53 DNA binding domain (Kd = 1-2 muM) and restores wild-type function to many oncogenic mutants by acting as a chaperone. Inhibits ubiquitination of p53 by HDM2. Triggers apoptosis in tumor cell lines and reduces tumor growth in a xenograft model. Tocris Bioscience 4240

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 341.1±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 4.76
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 148.12
ACD/KOC (pH 7.4): 289.77
Polar Surface Area: 48 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 446.2±3.0 cm3

Click to predict properties on the Chemicalize site


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