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Multi-kinase inhibitor 4

CAT: 0931-T201144-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T201144-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2648279-77-8
Target
FLT, PDGFR
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis
Bioactivity
Multi-kinase inhibitor 4 (compound 14) serves as an orally effective inhibitor targeting FLT1, KDR, FLT3, FLT4, PDGFRα, and PDGFRβ, exhibiting IC50 values of 1.97 nM, 1.04 nM, 0.33 nM, 1.44 nM, 0.18 nM, and 0.89 nM respectively. This compound plays a crucial role in cancer research.
Smiles
O=C(NC=1ON=C(C1)C(C)(C)C)CC2=CC=C(C=C2)N3C=NC=4C=C(C=CC43)C=5C=NNC5
Molecular Formula
C25H24N6O2
Molecular Weight
440.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
CAS Number2648279-77-8
PubChem CID156704776
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
Molecular FormulaC25H24N6O2
Molecular Weight440.5
XLogP4.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity676
SMILES
CC(C)(C)C1=NOC(=C1)NC(=O)CC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C5=CNN=C5
InChI
InChI=1S/C25H24N6O2/c1-25(2,3)22-12-24(33-30-22)29-23(32)10-16-4-7-19(8-5-16)31-15-26-20-11-17(6-9-21(20)31)18-13-27-28-14-18/h4-9,11-15H,10H2,1-3H3,(H,27,28)(H,29,32)
InChIKey
KLCBEXKZLLKSAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
CAS: 2648279-77-8
CID: 156704776
Formula: C25H24N6O2
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass440.19607403
Monoisotopic Mass440.19607403
Topological Polar Surface Area102 Ų
Heavy Atom Count33
Formal Charge0
Complexity676
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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HY-168115Multi-kinase inhibitor 4
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