for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
ST638 is a protein tyrosine kinase inhibitor (IC|50|= 370 nM) that also inhibits HGF-induced MAP kinase activation in hepatocytes. ST638 has also shown to inhibit PC-PLD (phospholipase D) activity in human neutrophils. This product decreases the O2? production induced by pervanadate in neutrophils.
| pKa | pKa: 9.06 |
|---|
| Canonical Smiles | CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)N |
|---|---|
| IUPAC Name | 2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide |
| InChIKey | YKLMGKWXBLSKPK-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)N |
| WGK Germany | 3 |
| RTECS | UC6316200 |
| PubChem CID | 5276 |
| Molecular Weight | 354.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Thiophenol ethers Phenoxy compounds Phenols Alkylarylthioethers Alkyl aryl ethers Sulfenyl compounds Nitriles Carboximidic acids Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ether - Phenoxy compound - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Ether - Carboximidic acid derivative - Carboximidic acid - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Solubility | Soluble in DMF, and DMSO (19 mg/ml). |
|---|---|
| Refractive Index | n20D1.66 |
| Boil Point(°C) | 611.24° C at 760 mmHg |
| Melt Point(°C) | 134-135.5° C |
| Molecular Weight | 354.400 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 354.104 Da |
| Monoisotopic Mass | 354.104 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 522.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
