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SB 239063

CAT: 0607-A3792-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A3792-25Size:25 mg
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Description
P38 MAP kinase inhibitor
CAS Number
193551-21-2
Product Name Alternative
4-(4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl)cyclohexanol
Sequence
SB-239063;SB239063
Field of Research
MAPK Signaling p38
Purity
0.9863
Form
A solid
Solubility
insoluble in H2O; ≥18.4 mg/mL in DMSO; ≥46.8 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
COC1=NC=CC(C2=C(C3=CC=C(F)C=C3)N=CN2C4CCC(O)CC4)=N1
Molecular Formula
C20H21FN4O2
Molecular Weight
368.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

SB 239063

SB-239063 is a member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of cyclohexanols, a member of imidazoles, an aromatic ether, a secondary alcohol, a member of pyrimidines and a member of monofluorobenzenes.

CAS Number193551-21-2
PubChem CID5166
IUPAC Name4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol
Molecular FormulaC20H21FN4O2
Molecular Weight368.4
XLogP2.6
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity469
SMILES
COC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3
InChIKey
ZQUSFAUAYSEREK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB 239063
CAS: 193551-21-2
CID: 5166
Formula: C20H21FN4O2
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass368.16485409
Monoisotopic Mass368.16485409
Topological Polar Surface Area73.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity469
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A11562-25SB 239063 25mg
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A11562-10SB 239063 10mg
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A11562-100SB 239063 100mg
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