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Multi-kinase inhibitor I

CAT: 1410-M17593-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M17593-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Multi-kinase inhibitor I is a Multi-kinase inhibitor.
CAS Number
778274-97-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
418.38
Molecular Formula
C20H17F3N4O3
Notes
Research use only, not for human use.
Receptor
Multi-kinase

Chemical Information

N-(2-Hydroxyethyl)-4-(6-((4-(trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)benzamide
CAS Number778274-97-8
PubChem CID59983028
IUPAC NameN-(2-hydroxyethyl)-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
Molecular FormulaC20H17F3N4O3
Molecular Weight418.4
XLogP3.5
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity536
SMILES
C1=CC(=CC=C1C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F)C(=O)NCCO
InChI
InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-7-5-15(6-8-16)27-18-11-17(25-12-26-18)13-1-3-14(4-2-13)19(29)24-9-10-28/h1-8,11-12,28H,9-10H2,(H,24,29)(H,25,26,27)
InChIKey
DEGDCVFNFAOIPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Hydroxyethyl)-4-(6-((4-(trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)benzamide
CAS: 778274-97-8
CID: 59983028
Formula: C20H17F3N4O3
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass418.12527490
Monoisotopic Mass418.12527490
Topological Polar Surface Area96.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity536
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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