ChemSpider 2D Image | 1-(3-Methylphenyl)-3-{1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea | C32H28N4O3

1-(3-Methylphenyl)-3-{1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea

  • Molecular FormulaC32H28N4O3
  • Average mass516.590 Da
  • Monoisotopic mass516.216125 Da
  • ChemSpider ID2695123

More details:

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

1-(3-Methylphenyl)-3-{1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}harnstoff [German] [ACD/IUPAC Name]
1-(3-Methylphenyl)-3-{1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea [ACD/IUPAC Name]
1-(3-Méthylphényl)-3-{1-[2-(2-méthylphényl)-2-oxoéthyl]-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yl}urée [French] [ACD/IUPAC Name]
Urea, N-[2,3-dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)- [ACD/Index Name]
(R)-N-[2,3-DIHYDRO-1-[2-(2-METHYLPHENYL)-2-OXOETHYL]-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL]-N'-(3-METHYLPHENYL)-UREA
[145084-28-2] [RN]
1-[2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea
145084-28-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL345686/
Urea,N-[(3R)-2,3-dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)-

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

YM-022 [DBID]
772CP7W12N [DBID]
YM 022 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1408
      Cholecystokinin (CCK) Receptors Tocris Bioscience 1408
      Extremely potent and highly selective non-peptide CCK2 silent antagonist (Ki values are 68 pM and 63 nM at CCK2 and CCK1 receptors respectively). Acts in vivo to potently inhibit gastrin-induced gastr ic acid secretion and histidine decarboxylase activation with a long duration of action. Tocris Bioscience 1408
      Extremely potent and highly selective non-peptide CCK2 silent antagonist (Ki values are 68 pM and 63 nM at CCK2 and CCK1 receptors respectively). Acts in vivo to potently inhibit gastrin-induced gastric acid secretion and histidine decarboxylase activation with a long duration of action. Tocris Bioscience 1408
      Highly potent, selective non-peptide CCK2 antagonist Tocris Bioscience 1408
      Peptide Receptors Tocris Bioscience 1408

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.6±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1418.06
ACD/KOC (pH 5.5): 6269.26
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1418.69
ACD/KOC (pH 7.4): 6272.04
Polar Surface Area: 91 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 419.4±7.0 cm3

Click to predict properties on the Chemicalize site


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