SB 203580

The Pyridine,4-[4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl]- is an organic compound with the formula C₂₁H₁₆FN₃OS. The IUPAC name of this chemical is 4-[4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine. With the CAS registry number 152121-47-6, it is also named as 4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)1H-imidazole. The product's categories are Pharmacetical; Intermediates and Fine Chemicals; Pharmaceuticals; Protein Kinase; Signalling. Besides, it is white to off-white solid, which should be stored at −20 °C.

Physical properties about Pyridine,4-[4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl]- are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 26.78; (5)ACD/BCF (pH 7.4): 28.38; (6)ACD/KOC (pH 5.5): 359.88; (7)ACD/KOC (pH 7.4): 381.5; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.99 Å²; (12)Index of Refraction: 1.714; (13)Molar Refractivity: 104 cm³; (14)Molar Volume: 264.7 cm³; (15)Polarizability: 41.23×10^-24 cm³; (16)Surface Tension: 80.2 dyne/cm; (17)Density: 1.42 g/cm³; (18)Flash Point: 326.1 °C; (19)Enthalpy of Vaporization: 87.97 kJ/mol; (20)Boiling Point: 615.6 °C at 760 mmHg; (21)Vapour Pressure: 2E-14 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-pyridine. This reaction will need reagents K₂S₂O₈; CH₃CO₂H. The reaction time is 18 hours. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It has risk of serious damage to eyes. When you are using it, wear eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
(2)InChIKey: CDMGBJANTYXAIV-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
(4)Std. InChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-N