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VEGFR-2-IN-22

CAT: 0931-T63822-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63822-01Size:25 mg
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CAS Number
2447587-73-5
Target
Others, Microtubule Associated, Apoptosis, VEGFR
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis, Cytoskeletal Signaling, Others, Apoptosis
Bioactivity
VEGFR-2-IN-22 (Compound 25) is an inhibitor of VEGFR-2 and β-tubulin polymerization, with an IC50 of 19.82 nM for VEGFR-2, and is capable of inducing apoptosis.
Smiles
C(NC1=CC(OC)=C(OC)C=C1)(=O)C=2N=C(N(N2)C3=CC(Cl)=C(F)C=C3)C4=CC(OC)=C(OC)C(OC)=C4
Molecular Formula
C26H24ClFN4O6
Molecular Weight
542.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vegfr-2-IN-22
CAS Number2447587-73-5
PubChem CID164517109
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide
Molecular FormulaC26H24ClFN4O6
Molecular Weight542.9
XLogP5.1
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity759
SMILES
COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)F)Cl)OC
InChI
InChI=1S/C26H24ClFN4O6/c1-34-19-9-6-15(12-20(19)35-2)29-26(33)24-30-25(32(31-24)16-7-8-18(28)17(27)13-16)14-10-21(36-3)23(38-5)22(11-14)37-4/h6-13H,1-5H3,(H,29,33)
InChIKey
URLXPPIGSRGEEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vegfr-2-IN-22
CAS: 2447587-73-5
CID: 164517109
Formula: C26H24ClFN4O6
MW: 542.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight542.9
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass542.1368404
Monoisotopic Mass542.1368404
Topological Polar Surface Area106 Ų
Heavy Atom Count38
Formal Charge0
Complexity759
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