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SU5416

CAT: 0607-A3847-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3847-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VEGF receptor inhibitor and AHR agonist
CAS Number
204005-46-9
Product Name Alternative
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Sequence
Semaxinib; SU-5416; SU 5416
Field of Research
Tyrosine Kinase c-MET Apoptosis c-RET Tyrosine Kinase c-RET Tyrosine Kinase FLT3 Tyrosine Kinase VEGFR
Purity
0.9977
Form
A solid
Solubility
insoluble in EtOH; insoluble in H2O; ≥11.9 mg/mL in DMSO
Smiles
CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C
Molecular Formula
C15H14N2O
Molecular Weight
238.28
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

Semaxinib
CAS Number204005-46-9
PubChem CID123015
IUPAC Name3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Molecular FormulaC15H14N2O
Molecular Weight238.28
XLogP2.5
Topological Polar Surface Area44.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity377
SMILES
CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C
InChI
InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)
InChIKey
WUWDLXZGHZSWQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Semaxinib
CAS: 204005-46-9
CID: 123015
Formula: C15H14N2O
MW: 238.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight238.28
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass238.110613074
Monoisotopic Mass238.110613074
Topological Polar Surface Area44.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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