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VEGFR-2-IN-21

CAT: 0931-T64060-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T64060-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2531029-88-4
Target
Others, VEGFR
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Others
Bioactivity
VEGFR-2-IN-21 is a potent inhibitor of VEGFR-2 (IC50: 0.10 μM) and exhibits anticancer effects.
Smiles
CN1C=2C(C(=NCC1=O)C3=CC=C(N=NC4=CC=C(S(NC=5N=C(C)C=C(C)N5)(=O)=O)C=C4)C=C3)=CC(Cl)=CC2
Molecular Formula
C28H24ClN7O3S
Molecular Weight
574.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vegfr-2-IN-21
CAS Number2531029-88-4
PubChem CID164517060
IUPAC Name4-[[4-(7-chloro-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Molecular FormulaC28H24ClN7O3S
Molecular Weight574.1
XLogP4.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity1040
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C4=NCC(=O)N(C5=C4C=C(C=C5)Cl)C)C
InChI
InChI=1S/C28H24ClN7O3S/c1-17-14-18(2)32-28(31-17)35-40(38,39)23-11-9-22(10-12-23)34-33-21-7-4-19(5-8-21)27-24-15-20(29)6-13-25(24)36(3)26(37)16-30-27/h4-15H,16H2,1-3H3,(H,31,32,35)
InChIKey
TXIQOLDHANVOQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vegfr-2-IN-21
CAS: 2531029-88-4
CID: 164517060
Formula: C28H24ClN7O3S
MW: 574.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight574.1
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass573.1349865
Monoisotopic Mass573.1349865
Topological Polar Surface Area138 Ų
Heavy Atom Count40
Formal Charge0
Complexity1040
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