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ST638

CAT: 0931-T21580-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T21580-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107761-24-0
Target
Others
Related Pathways
Others
Bioactivity
ST638 is a potent tyrosine kinase inhibitor with an IC50 of 370 nM [1].
Smiles
C(=C(C(N)=O)C#N)C1=CC(CSC2=CC=CC=C2)=C(O)C(OCC)=C1
Molecular Formula
C19H18N2O3S
Molecular Weight
354.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ST-638

2-Cyano-3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-2-propenamide is a benzenoid aromatic compound.

CAS Number107761-24-0
PubChem CID5941457
IUPAC Name(E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
Molecular FormulaC19H18N2O3S
Molecular Weight354.4
XLogP3.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity522
SMILES
CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C19H18N2O3S/c1-2-24-17-10-13(8-14(11-20)19(21)23)9-15(18(17)22)12-25-16-6-4-3-5-7-16/h3-10,22H,2,12H2,1H3,(H2,21,23)/b14-8+
InChIKey
YKLMGKWXBLSKPK-RIYZIHGNSA-N
Chemical Structure
2D Structure
2D structure of ST-638
CAS: 107761-24-0
CID: 5941457
Formula: C19H18N2O3S
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass354.10381361
Monoisotopic Mass354.10381361
Topological Polar Surface Area122 Ų
Heavy Atom Count25
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-112446ST638

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