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ALW-II-49-7

CAT: 0931-T67736-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T67736-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1135219-23-6
Target
Ephrin Receptor
Related Pathways
Tyrosine Kinase/Adaptors
Purity
0.9984
Bioactivity
ALW-II-49-7 is a selective and potent inhibitor of EphB2 kinase, with an EC50 value of 40 nM in cell.
Smiles
N(C1=CC(C(NC2=CC(C(F)(F)F)=CC=C2)=O)=CC=C1C)C=3C=C(C(N)=O)C=NC3
Molecular Formula
C21H17F3N4O2
Molecular Weight
414.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-((2-Methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyridine-3-carboxamide

5-[2-methyl-5-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-3-pyridinecarboxamide is a member of benzamides.

CAS Number1135219-23-6
PubChem CID24875320
IUPAC Name5-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]pyridine-3-carboxamide
Molecular FormulaC21H17F3N4O2
Molecular Weight414.4
XLogP3.4
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity616
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=CN=CC(=C3)C(=O)N
InChI
InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
InChIKey
SAAYRHKJHDIDPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-((2-Methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyridine-3-carboxamide
CAS: 1135219-23-6
CID: 24875320
Formula: C21H17F3N4O2
MW: 414.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.4
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass414.13036028
Monoisotopic Mass414.13036028
Topological Polar Surface Area97.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity616
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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