N-(6,8-Difluoro-2-methyl-4-quinolinyl)-N'-[4-(dimethylamino)phenyl]urea

Base Information

• Chemical Name: N-(6,8-Difluoro-2-methyl-4-quinolinyl)-N'-[4-(dimethylamino)phenyl]urea
• CAS No.: 288150-92-5
• Molecular Formula: C19H18F2N4O
• Molecular Weight: 356.37
• European Community (EC) Number: 636-686-9
• UNII: C3YT74C744
• DSSTox Substance ID: DTXSID20402022
• Nikkaji Number: J2.753.551H
• Wikipedia: SB-408124
• Wikidata: Q7388912
• Pharos Ligand ID: 8DHZM4CTR37Z
• ChEMBL ID: CHEMBL1334465
• Mol file: 288150-92-5.mol

Synonyms:SB 408124;SB-408124;SB408124

Chemical Property of N-(6,8-Difluoro-2-methyl-4-quinolinyl)-N'-[4-(dimethylamino)phenyl]urea

Chemical Property:

• Vapor Pressure: 1.32E-07mmHg at 25°C
• Refractive Index: 1.697
• Boiling Point: 430.3 °C at 760 mmHg
• PKA: 12.12±0.43(Predicted)
• Flash Point: 214 °C
• PSA: 57.26000
• Density: 1.371 g/cm³
• LogP: 4.67740
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ~24 mg/mL
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 356.14486753
• Heavy Atom Count: 26
• Complexity: 484

Purity/Quality:

98% min ^*data from raw suppliers

SB408124 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C=C(C=C(C2=N1)F)F)NC(=O)NC3=CC=C(C=C3)N(C)C
• Uses: SB 408124 is a novel OX-1 antagonist.