ChemSpider 2D Image | JJKK-048 | C23H22N4O5

JJKK-048

  • Molecular FormulaC23H22N4O5
  • Average mass434.445 Da
  • Monoisotopic mass434.159027 Da
  • ChemSpider ID31146415

More details:

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

[4-[Bis(1,3-benzodioxol-5-yl)methyl]-1-piperidinyl]-1H-1,2,4-triazol-1-yl-methanone
{4-[Bis(1,3-benzodioxol-5-yl)methyl]-1-piperidinyl}(1H-1,2,4-triazol-1-yl)methanon [German] [ACD/IUPAC Name]
{4-[Bis(1,3-benzodioxol-5-yl)methyl]-1-piperidinyl}(1H-1,2,4-triazol-1-yl)methanone [ACD/IUPAC Name]
{4-[Bis(1,3-benzodioxol-5-yl)méthyl]-1-pipéridinyl}(1H-1,2,4-triazol-1-yl)méthanone [French] [ACD/IUPAC Name]
1515855-97-6 [RN]
JJKK-048
Methanone, [4-[bis(1,3-benzodioxol-5-yl)methyl]-1-piperidinyl]-1H-1,2,4-triazol-1-yl- [ACD/Index Name]
MFCD30182268
[1515855-97-6] [RN]
4-[bis(2H-1,3-benzodioxol-5-yl)methyl]-1-(1,2,4-triazole-1-carbonyl)piperidine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    • Bio Activity:

      Enzymes Tocris Bioscience 5206
      Hydrolases Tocris Bioscience 5206
      MAGL Tocris Bioscience 5206
      Potent and selective MAGL inhibitor Tocris Bioscience 5206
      Potent and selective monoacylglycerol lipase (MAGL) inhibitor (IC50 = 0.4 nM). Exhibits >13,000 and ~630-fold selectivity for MAGL over FAAH and ABHD6 respectively. Tocris Bioscience 5206
      Potent and selective monoacylglycerol lipase (MAGL) inhibitor (IC50 = 0.4 nM). Exhibits >13,000 and ~630-fold selectivity for MAGL over FAAH and ABHD6, respectively. Increases brain levels of 2-arachidonoylglycerol (2-AG) levels in mice in vivo. Promotes analgesia in pain models. Tocris Bioscience 5206

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

Density: 1.5±0.1 g/cm3
Boiling Point: 615.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.3±34.3 °C
Index of Refraction: 1.727
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.08
ACD/KOC (pH 5.5): 488.60
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.08
ACD/KOC (pH 7.4): 488.69
Polar Surface Area: 88 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 285.7±7.0 cm3

Click to predict properties on the Chemicalize site


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