ChemSpider 2D Image | (-)-JQ1 | C23H25ClN4O2S

(-)-JQ1

  • Molecular FormulaC23H25ClN4O2S
  • Average mass456.988 Da
  • Monoisotopic mass456.138672 Da
  • ChemSpider ID28637824

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-JQ1
(R)-(-)-JQ1
(R)-(-)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate
[(6R)-4-(4-Chlorophényl)-2,3,9-triméthyl-6H-thiéno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazépin-6-yl]acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl (6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetate
1268524-71-5 [RN]
2-Methyl-2-propanyl [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(6R)-4-(4-chlorphenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetat [German] [ACD/IUPAC Name]
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6R)- [ACD/Index Name]
LSM-6333
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    • Safety:

      This compound is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the (+)-JQ1 probe summary on the SGC website. Tocris Bioscience 5603

    • Bio Activity:

      (-)-JQ-1, the stereoisomer (+)-JQ1, showed no significant interaction with any bromodomain; (+)-JQ1 is an inhibitor for the BET. MedChem Express http://www.medchemexpress.com/CDK-IN-2.html, HY-13030A
      BET bromodomain MedChem Express HY-13030A
      Bromodomains Tocris Bioscience 5603
      Cell Biology Tocris Bioscience 5603
      Cell Cycle/DNA Damage MedChem Express HY-13030A
      Epigenetics Tocris Bioscience 5603
      Inactive control for (+)-JQ1 (Cat. No. 4499) Tocris Bioscience 5603
      Inactive control for (+)-JQ1 (Cat. No. 4499). Exhibits no significant interaction with BRD1-4 or a panel of other bromodomains. Tocris Bioscience 5603
      Inactive control for (+)-JQ1. Exhibits no significant interaction with BRD1-4 or a panel of other bromodomains. Active Enantiomer also available. Tocris Bioscience 5603

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.9±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 125.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2722.56
ACD/KOC (pH 5.5): 10005.46
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2725.07
ACD/KOC (pH 7.4): 10014.67
Polar Surface Area: 98 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 341.2±7.0 cm3

Click to predict properties on the Chemicalize site


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