ChemSpider 2D Image | PK-THPP | C29H32N4O2

PK-THPP

  • Molecular FormulaC29H32N4O2
  • Average mass468.590 Da
  • Monoisotopic mass468.252533 Da
  • ChemSpider ID29410774

More details:

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

1-[1-(6-{[1,1'-biphenyl]-4-carbonyl}-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]butan-1-one
1-[1-[6-([1,1'-Biphenyl]-4-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinyl]-1-butanone
1-{1-[6-(4-Biphenylylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinyl}-1-butanon [German] [ACD/IUPAC Name]
1-{1-[6-(4-Biphenylylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinyl}-1-butanone [ACD/IUPAC Name]
1-{1-[6-(4-Biphénylylcarbonyl)-5,6,7,8-tétrahydropyrido[4,3-d]pyrimidin-4-yl]-4-pipéridinyl}-1-butanone [French] [ACD/IUPAC Name]
1332454-07-5 [RN]
1-Butanone, 1-[1-[6-([1,1'-biphenyl]-4-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]-4-piperidinyl]- [ACD/Index Name]
MFCD28396418
PK-THPP
[1332454-07-5] [RN]
More...

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Ion Channels Tocris Bioscience 5338
      Non-selective / Other Potassium Channels Tocris Bioscience 5338
      Potassium Channels Tocris Bioscience 5338
      Potent K2P9.1 (TASK-3) channel blocker Tocris Bioscience 5338
      Potent TASK-3 channel blocker Tocris Bioscience 5338
      Potent TASK-3 channel blocker (IC50 = 35 and 300 nM for TASK-3 and TASK-1 respectively). Increases breathing rate and induces respiratory alkalosis in rats. Tocris Bioscience 5338
      Two-P Potassium Channels Tocris Bioscience 5338

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

Density: 1.2±0.1 g/cm3
Boiling Point: 709.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 135.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 565.94
ACD/KOC (pH 5.5): 2550.96
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1306.28
ACD/KOC (pH 7.4): 5888.05
Polar Surface Area: 66 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 392.6±3.0 cm3

Click to predict properties on the Chemicalize site


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