ChemSpider 2D Image | OICR-9429 | C29H32F3N5O3

OICR-9429

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID34975875

More details:

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

1801787-56-3 [RN]
3-Pyridinecarboxamide, 1,6-dihydro-N-[4-(4-methyl-1-piperazinyl)-3'-(4-morpholinylmethyl)[1,1'-biphenyl]-3-yl]-6-oxo-4-(trifluoromethyl)- [ACD/Index Name]
N-[4-(4-Methyl-1-piperazinyl)-3'-(4-morpholinylmethyl)-3-biphenylyl]-6-oxo-4-(trifluormethyl)-1,6-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
N-[4-(4-Methyl-1-piperazinyl)-3'-(4-morpholinylmethyl)-3-biphenylyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
N-[4-(4-Méthyl-1-pipérazinyl)-3'-(4-morpholinylméthyl)-3-biphénylyl]-6-oxo-4-(trifluorométhyl)-1,6-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-[4-(4-methylpiperazin-1-yl)-3'-(morpholin-4-ylmethyl)-[1,1'-biphenyl]-3-yl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
N-[4-(4-methylpiperazin-1-yl)-3'-[(morpholin-4-yl)methyl]-[1,1'-biphenyl]-3-yl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
OICR-9429
[1801787-56-3] [RN]
6-HYDROXY-N-(4-(4-METHYLPIPERAZIN-1-YL)-3'-(MORPHOLINOMETHYL)-[1,1'-BIPHENYL]-3-YL)-4-(TRIFLUOROMETHYL)NICOTINAMIDE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    • Safety:

      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the OICR-9429 probe summary on the SGC website. Tocris Bioscience 5267

    • Bio Activity:

      Enzymes Tocris Bioscience 5267
      High affinity and selective WDR5 antagonist Tocris Bioscience 5267
      High affinity WDR5 antagonist (Kd = 93 nM); disrupts WDR5-MLL interaction. Exhibits selectivity for WDR5 over 22 methyltransferases and a panel of kinases, GPCRs, ion channels, and transporters. Reduc es viability of acute myeloid leukemia cells in vitro. Also disrupts MLL1-RbBP5 interaction. Tocris Bioscience 5267
      High affinity WDR5 antagonist (Kd = 93 nM); disrupts WDR5-MLL interaction. Exhibits selectivity for WDR5 over 22 methyltransferases and a panel of kinases, GPCRs, ion channels, and transporters. Reduces viability of acute myeloid leukemia cells in vitro. Also disrupts MLL1-RbBP5 interaction. Tocris Bioscience 5267
      Lysine Methyltransferases Tocris Bioscience 5267
      Transferases Tocris Bioscience 5267

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 9.48
ACD/KOC (pH 7.4): 138.98
Polar Surface Area: 77 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 419.3±3.0 cm3

Click to predict properties on the Chemicalize site


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