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BMS-2

CAT: 0931-T8326-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T8326-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
888719-03-7
Target
C-Met/HGFR, VEGFR, FLT
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis
Purity
0.997
Bioactivity
BMS-2 is a Met/Flt-3/VEGFR2 tyrosine kinase inhibitor.
Smiles
O(C1=C2C(NC=C2)=NC=C1)C3=C(F)C=C(NC(=O)C=4C(=O)N(C=CC4)C5=CC=C(F)C=C5)C=C3
Molecular Formula
C25H16F2N4O3
Molecular Weight
458.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CAS Number888719-03-7
PubChem CID21081761
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
Molecular FormulaC25H16F2N4O3
Molecular Weight458.4
XLogP4.1
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity829
SMILES
C1=CN(C(=O)C(=C1)C(=O)NC2=CC(=C(C=C2)OC3=C4C=CNC4=NC=C3)F)C5=CC=C(C=C5)F
InChI
InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)
InChIKey
OBSFXHDOLBYWRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CAS: 888719-03-7
CID: 21081761
Formula: C25H16F2N4O3
MW: 458.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass458.11904671
Monoisotopic Mass458.11904671
Topological Polar Surface Area87.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity829
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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