ChemSpider 2D Image | OF-1 | C17H18BrN3O4S

OF-1

  • Molecular FormulaC17H18BrN3O4S
  • Average mass440.311 Da
  • Monoisotopic mass439.020142 Da
  • ChemSpider ID21626015

More details:






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

4-Bromanyl-~{n}-(6-Methoxy-1,3-Dimethyl-2-Oxidanylidene-Benzimidazol-5-Yl)-2-Methyl-Benzenesulfonamide
4-Brom-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
4-Bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-methylbenzenesulfonamide [ACD/IUPAC Name]
4-Bromo-N-(6-méthoxy-1,3-diméthyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
919973-83-4 [RN]
Benzenesulfonamide, 4-bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methyl- [ACD/Index Name]
MFCD26964046
OF-1
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-methylbenzenesulfonamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

      5 Axon Medchem 2442
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2442
      no pictogram Axon Medchem 2442
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2442
      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the OF 1 probe summary on the SGC website. Tocris Bioscience 5289
      Warning Axon Medchem 2442
    • Target Organs:

      BET bromodomain inhibitor TargetMol T2127
    • Bio Activity:

      BET bromodomain MedChem Express HY-12518
      Bromodomains Tocris Bioscience 5289
      BRPF1B;BRPF2 TargetMol T2127
      Cell Biology Tocris Bioscience 5289
      Cell Cycle/DNA Damage MedChem Express HY-12518
      Cell Cycle/DNA Damage; MedChem Express HY-12518
      Chromatin/Epigenetic TargetMol T2127
      Epigenetics Tocris Bioscience 5289
      OF-1 is a selective BRPF1B and BRPF2 bromodomain inhibitor with Kd values of 100 nM/500 nM for BRPF1B/BRPF2; 39-fold selectivity over BRD4. MedChem Express http://www.medchemexpress.com/PF-06380101.html, HY-12518
      Selective BRPF1B and BRPF2 bromodomain inhibitor (Kd values are 100 and 500 nM respectively). Exhibits 39-fold selectivity for BRPF1B and BRPF2 over BRD4. Accelerates FRAP recovery at 5 ?M in a BRPF2 FRAP assay. Tocris Bioscience 5289
      Selective BRPF1B and BRPF2 bromodomain inhibitor (Kd values are 100 and 500 nM respectively). Exhibits 39-fold selectivity for BRPF1B and BRPF2 over BRD4. Accelerates FRAP recovery at 5 ?M in a BRPF2 FRAP assay. Tocris Bioscience 5289
      Selective BRPF1B and BRPF2 bromodomain inhibitor (Kd values are 100 and 500 nM respectively). Exhibits 39-fold selectivity for BRPF1B and BRPF2 over BRD4. Accelerates FRAP recovery at 5 muM in a BRPF2 FRAP assay. Tocris Bioscience 5289
      Selective BRPF1B and BRPF2 inhibitor Tocris Bioscience 5289

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 573.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.8±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 102.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.44
ACD/KOC (pH 5.5): 1405.68
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 167.74
ACD/KOC (pH 7.4): 1343.93
Polar Surface Area: 87 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 282.7±3.0 cm3

Click to predict properties on the Chemicalize site






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