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M443

CAT: 0931-T15943-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T15943-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1820684-31-8
Target
P38 MAPK, Chk, MLK, Others
Related Pathways
Others, MAPK, Cell Cycle/Checkpoint
Purity
0.9895
Bioactivity
M443 is a potent small molecule inhibitor of MRK that inhibits radiation-induced activation of p38 and Chk2 and can be used in cancer research.
Smiles
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)C3CCCN(C3)C(=O)C=C)c2)cc(c1)C(F)(F)F
Molecular Formula
C31H30F3N7O2
Molecular Weight
589.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]amino]benzamide
CAS Number1820684-31-8
PubChem CID92042851
IUPAC Name4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]amino]benzamide
Molecular FormulaC31H30F3N7O2
Molecular Weight589.6
XLogP5
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity984
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5CCCN(C5)C(=O)C=C
InChI
InChI=1S/C31H30F3N7O2/c1-4-28(42)40-11-5-6-22(17-40)26-9-10-35-30(38-26)39-27-12-21(8-7-19(27)2)29(43)37-24-13-23(31(32,33)34)14-25(15-24)41-16-20(3)36-18-41/h4,7-10,12-16,18,22H,1,5-6,11,17H2,2-3H3,(H,37,43)(H,35,38,39)
InChIKey
QAQFNUYJUCJMKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]amino]benzamide
CAS: 1820684-31-8
CID: 92042851
Formula: C31H30F3N7O2
MW: 589.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight589.6
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass589.24130771
Monoisotopic Mass589.24130771
Topological Polar Surface Area105 Ų
Heavy Atom Count43
Formal Charge0
Complexity984
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-112274-01M443
A19696-25M443 25mg
A19696-50M443 50mg
A19696-10M443 10mg
A19696-100M443 100mg
A19696-5M443 5mg
A19696-1M443 1mg
A19696-10mM-DM443 10mM * 1mL in DMSO

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