ChemSpider 2D Image | XD14 | C20H27N3O5S

XD14

  • Molecular FormulaC20H27N3O5S
  • Average mass421.510 Da
  • Monoisotopic mass421.167145 Da
  • ChemSpider ID30149317

More details:

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

1370888-71-3 [RN]
1H-Pyrrole-2-carboxamide, 4-acetyl-N-[5-[(diethylamino)sulfonyl]-2-hydroxyphenyl]-3-ethyl-5-methyl- [ACD/Index Name]
4-Acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-Acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-Acétyl-N-[5-(diéthylsulfamoyl)-2-hydroxyphényl]-3-éthyl-5-méthyl-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
XD14
[1370888-71-3] [RN]
21Q
4-acetyl-N-(5-(N,N-diethylsulfamoyl)-2-hydroxyphenyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
4-acetyl-N-[5-[(diethylamino)sulfonyl]-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
More...

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

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

    • Bio Activity:

      BET bromodomain inhibitor Tocris Bioscience 5489
      BET bromodomain inhibitor (Kd values are 160, 170, 380, 490, 830 and 850 nM for BRD4(1), BRD2(1), BRD3(1), BRD3(2), BRD2(2) and BRD4(2) respectively). Also inhibits BRDT(1), CBP, p300 and BRDT(2) (Kd values are 1.2, 1.6, 2.6 and 3.7 ?M respectively). Attenuates proliferation of HL-60 leukemia cells in vitro. Tocris Bioscience 5489
      BET bromodomain inhibitor (Kd values are 160, 170, 380, 490, 830 and 850 nM for BRD4(1), BRD2(1), BRD3(1), BRD3(2), BRD2(2) and BRD4(2) respectively). Also inhibits BRDT(1), CBP, p300 and BRDT(2) (Kd values are 1.2, 1.6, 2.6 and 3.7 ?M respectively). Attenuates proliferation of HL-60 leukemia cells in vitro. Tocris Bioscience 5489
      BET bromodomain inhibitor (Kd values are 160, 170, 380, 490, 830 and 850 nM for BRD4(1), BRD2(1), BRD3(1), BRD3(2), BRD2(2) and BRD4(2) respectively). Also inhibits BRDT(1), CBP, p300 and BRDT(2) (Kd values are 1.2, 1.6, 2.6 and 3.7 muM respectively). Attenuates proliferation of HL-60 leukemia cells in vitro. Tocris Bioscience 5489
      Bromodomains Tocris Bioscience 5489
      Cell Biology Tocris Bioscience 5489
      Epigenetics Tocris Bioscience 5489

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: 1.592
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.84
ACD/KOC (pH 5.5): 834.26
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 56.32
ACD/KOC (pH 7.4): 553.77
Polar Surface Area: 128 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 324.2±3.0 cm3

Click to predict properties on the Chemicalize site


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