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P38 Kinase-IN-9

CAT: 0013-GTR19273174-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273174-01Size:10 mg
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Description
P38 Kinase-IN-9 (example 4) is a p38 kinase inhibitor with an IC50 of less than 1 μM. It is applicable for research into p38 kinase-mediated conditions, such as inflammatory diseases.
CAS Number
836682-64-5
Smiles
O=C (NC1CC1) C2=CC=C (C (=C2) N3N=CC (C (=O) C=4C=CC=CC4) =C3N) C
Molecular Formula
C21H20N4O2
Molecular Weight
360.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(5-amino-4-benzoyl-pyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
CAS Number836682-64-5
PubChem CID11485200
IUPAC Name3-(5-amino-4-benzoylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
Molecular FormulaC21H20N4O2
Molecular Weight360.4
XLogP3.6
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity558
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC=CC=C4)N
InChI
InChI=1S/C21H20N4O2/c1-13-7-8-15(21(27)24-16-9-10-16)11-18(13)25-20(22)17(12-23-25)19(26)14-5-3-2-4-6-14/h2-8,11-12,16H,9-10,22H2,1H3,(H,24,27)
InChIKey
YKRHGHVJNYCHEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(5-amino-4-benzoyl-pyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
CAS: 836682-64-5
CID: 11485200
Formula: C21H20N4O2
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass360.15862589
Monoisotopic Mass360.15862589
Topological Polar Surface Area90 Ų
Heavy Atom Count27
Formal Charge0
Complexity558
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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HY-177320P38 Kinase-IN-9
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