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CP-944629

CAT: 0931-T27067-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27067-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
668990-94-1
Target
Others, p38 MAPK
Related Pathways
Others, MAPK
Bioactivity
CP-944629 is a novel, potent, and selective inhibitor of p38alpha.
Smiles
C(C)(C)(C)C=1N2C(C=CC(=C2)C3=C(N=CO3)C4=C(F)C=C(F)C(F)=C4)=NN1
Molecular Formula
C19H15F3N4O
Molecular Weight
372.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,2,4-Triazolo[4,3-A]pyridine, 3-(1,1-dimethylethyl)-6-[4-(2,4,5-trifluorophenyl)-5-oxazolyl]-
CAS Number668990-94-1
PubChem CID9999342
IUPAC Name5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,4,5-trifluorophenyl)-1,3-oxazole
Molecular FormulaC19H15F3N4O
Molecular Weight372.3
XLogP4.9
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity534
SMILES
CC(C)(C)C1=NN=C2N1C=C(C=C2)C3=C(N=CO3)C4=CC(=C(C=C4F)F)F
InChI
InChI=1S/C19H15F3N4O/c1-19(2,3)18-25-24-15-5-4-10(8-26(15)18)17-16(23-9-27-17)11-6-13(21)14(22)7-12(11)20/h4-9H,1-3H3
InChIKey
VNZJNPIWZYMGAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,4-Triazolo[4,3-A]pyridine, 3-(1,1-dimethylethyl)-6-[4-(2,4,5-trifluorophenyl)-5-oxazolyl]-
CAS: 668990-94-1
CID: 9999342
Formula: C19H15F3N4O
MW: 372.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.3
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass372.11979560
Monoisotopic Mass372.11979560
Topological Polar Surface Area56.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity534
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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