ChemSpider 2D Image | ML337 | C21H20FNO3

ML337

  • Molecular FormulaC21H20FNO3
  • Average mass353.387 Da
  • Monoisotopic mass353.142731 Da
  • ChemSpider ID29785018

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{2-Fluor-4-[(4-methoxyphenyl)ethinyl]phenyl}[(3R)-3-hydroxy-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
{2-Fluoro-4-[(4-methoxyphenyl)ethynyl]phenyl}[(3R)-3-hydroxy-1-piperidinyl]methanone [ACD/IUPAC Name]
{2-Fluoro-4-[(4-méthoxyphényl)éthynyl]phényl}[(3R)-3-hydroxy-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl][(3R)-3-hydroxy-1-piperidinyl]- [ACD/Index Name]
ML337
(R)-(2-Fluoro-4-((4-methoxyphenyl)ethynyl)phenyl)(3-hydroxypiperidin-1-yl)methanone
[1443118-44-2] [RN]
[2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
1443118-44-2 [RN]
MFCD27937770
More...

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

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

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4982
      Glutamate (Metabotropic) Group II Receptors Tocris Bioscience 4982
      Glutamate (Metabotropic) Receptors Tocris Bioscience 4982
      Selective negative allosteric modulator of mGlu3 Tocris Bioscience 4982
      Selective negative allosteric modulator of mGlu3 (IC50 = 593 nM). Displays no activity at mGlu1, mGlu2 or mGlu4-8 at concentrations up to 30 ?M. Brain penetrant. Tocris Bioscience 4982
      Selective negative allosteric modulator of mGlu3 (IC50 = 593 nM). Displays no activity at mGlu1, mGlu2 or mGlu4-8 at concentrations up to 30 muM. Brain penetrant. Tocris Bioscience 4982

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.9±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.43
ACD/KOC (pH 5.5): 738.97
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.43
ACD/KOC (pH 7.4): 738.97
Polar Surface Area: 50 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 272.9±5.0 cm3

Click to predict properties on the Chemicalize site


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