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SB-239063

CAT: 0127-BISN0226-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BISN0226-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
193551-21-2
MDL Number
MFCD03792786
Purity
99%
Smiles
COc1nccc(n1)c2c(ncn2[C@@H]3CC[C@@H](O)CC3)c4ccc(F)cc4
Notes
MAPK/ERK Signalling Pathway

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
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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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Alternative Products

CatalogName
MBS386115-01SB 239063
474181SB-239063
A11562-50SB 239063 50mg
A11562-10SB 239063 10mg
A11562-2SB 239063 2mg
A11562-1SB 239063 1mg
A11562-25SB 239063 25mg
A11562-100SB 239063 100mg
A11562-5SB 239063 5mg
BS300122SB 239063 - Bio-X TM

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