ChemSpider 2D Image | LY225910 | C27H24BrN3O2

LY225910

  • Molecular FormulaC27H24BrN3O2
  • Average mass502.402 Da
  • Monoisotopic mass501.105194 Da
  • ChemSpider ID3558870

More details:

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

133040-77-4 [RN]
2-[2-(5-Brom-1H-indol-3-yl)ethyl]-3-(3-isopropoxyphenyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-[2-(5-Bromo-1H-indol-3-yl)ethyl]-3-(3-isopropoxyphenyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
2-[2-(5-Bromo-1H-indol-3-yl)éthyl]-3-(3-isopropoxyphényl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
2-[2-(5-Bromo-1H-indol-3-yl)ethyl]-3-(3-isopropoxyphenyl)quinazolin-4(3H)-one
2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(3-propan-2-yloxyphenyl)-4-quinazolinone
2-[2-(5-Bromo-1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy )phenyl]-4-(3H)-quinazolinone
2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-[3-(propan-2-yloxy)phenyl]-3,4-dihydroquinazolin-4-one
2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-[3-(propan-2-yloxy)phenyl]quinazolin-4(3H)-one
4(3H)-Quinazolinone, 2-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCGC00024941-01 [DBID]
Tocris-1018 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold with the permission of Eli Lilly and Company. Tocris Bioscience 1018

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1018
      Cholecystokinin (CCK) Receptors Tocris Bioscience 1018
      Peptide Receptors Tocris Bioscience 1018
      Potent CCK2 antagonist Tocris Bioscience 1018
      Potent CCK2 receptor antagonist (IC50 = 9.3 nM for inhibition of 125I-labeled CCK-8 sulfate binding at mouse brain membranes). Tocris Bioscience 1018

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.3±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12142.05
ACD/KOC (pH 5.5): 29175.30
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12152.69
ACD/KOC (pH 7.4): 29200.88
Polar Surface Area: 58 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 359.1±7.0 cm3

Click to predict properties on the Chemicalize site


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