ChemSpider 2D Image | SGC-CBP30 | C28H33ClN4O3

SGC-CBP30

  • Molecular FormulaC28H33ClN4O3
  • Average mass509.040 Da
  • Monoisotopic mass508.224121 Da
  • ChemSpider ID29422710

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1613695-14-9 [RN]
1H-Benzimidazole, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-4-isoxazolyl)-1-[(2S)-2-(4-morpholinyl)propyl]- [ACD/Index Name]
2-[2-(3-Chlor-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-morpholinyl)propyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[2-(3-Chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-morpholinyl)propyl]-1H-benzimidazole [ACD/IUPAC Name]
2-[2-(3-Chloro-4-méthoxyphényl)éthyl]-5-(3,5-diméthyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-morpholinyl)propyl]-1H-benzimidazole [French] [ACD/IUPAC Name]
2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-1,3-benzodiazole
2-[2-(3-Chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole
SGC-CBP30
(s)-4-(1-(2-(3-chloro-4-methoxyphenethyl)-5-(3,5-dimethylisoxazol-4-yl)-1h-benzo[d]imidazol-1-yl)propan-2-yl)morpholine
[1613695-14-9] [RN]
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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 probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the SGC-CBP30 probe summary on the SGC website. Tocris Bioscience 4889

    • Bio Activity:

      Bromodomains Tocris Bioscience 4889
      Cell Biology Tocris Bioscience 4889
      Epigenetics Tocris Bioscience 4889
      Others MedChem Express HY-15826
      Potent CBP/p300 BRD inhibitor Tocris Bioscience 4889
      Potent CBP/p300 bromodomain (BRD) inhibitor (Kd values are 21 and 32 nM for CBP and p300 BRDs respectively). Exhibits 40-fold and 250-fold selectivity for CBP over the first BRD of BRD4 (BRD4(1)) and BRD4(2) respectively. Accelerates FRAP recovery in cells at a concentration of 1 ?M. Tocris Bioscience 4889
      Potent CBP/p300 bromodomain (BRD) inhibitor (Kd values are 21 and 32 nM for CBP and p300 BRDs respectively). Exhibits 40-fold and 250-fold selectivity for CBP over the first BRD of BRD4 (BRD4(1)) and BRD4(2) respectively. Accelerates FRAP recovery in cells at a concentration of 1 ?M. Tocris Bioscience 4889
      Potent CBP/p300 bromodomain (BRD) inhibitor (Kd values are 21 and 32 nM for CBP and p300 BRDs respectively). Exhibits 40-fold and 250-fold selectivity for CBP over the first BRD of BRD4 (BRD4(1)) and BRD4(2) respectively. Accelerates FRAP recovery in cells at a concentration of 1 muM. Tocris Bioscience 4889
      SGC-CBP30 is a potent CREBBP/EP300 bromodomain inhibitor with IC50 of 21-69 and 38 nM for CREBBP and EP300 bromodomains, respectively. MedChem Express
      SGC-CBP30 is a potent CREBBP/EP300 bromodomain inhibitor with IC50 of 21-69 and 38 nM for CREBBP and EP300 bromodomains, respectively.; IC50 Value: 21-69 nM(for CREBBP); 38 nM(for EP300); Target: Others; in vivo: SGC-CBP30 is a highly potent and selective p300/CBP bromodomain inhibitor (IC50 ~0.021-0.069 uM for CBP and ~0.038 uM for p300). MedChem Express HY-15826
      SGC-CBP30 is a potent CREBBP/EP300 bromodomain inhibitor with IC50 of 21-69 and 38 nM for CREBBP and EP300 bromodomains, respectively.;IC50 Value: 21-69 nM(for CREBBP); 38 nM(for EP300);Target: ;In vivo: SGC-CBP30 is a highly potent and selective p300/CBP bromodomain inhibitor (IC50 ~0.021-0.069 uM for CBP and ~0.038 uM for p300). It has 40-fold selectivity for CBP over BRD4. It accelerated FRAP recovery at 1 uM. ;In vivo: N/A MedChem Express HY-15826

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 213.07
ACD/KOC (pH 5.5): 591.30
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5229.72
ACD/KOC (pH 7.4): 14513.01
Polar Surface Area: 66 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 396.5±7.0 cm3

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