≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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.
EMD638683 S-Form is the S-form of EMD638683. EMD638683 is a highly selective SGK1 inhibitor with IC 50 of 3 μM.
Form:Solid
| Canonical Smiles | CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O |
|---|---|
| IUPAC Name | N'-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide |
| InChIKey | SSNAPUUWBPZGOY-INIZCTEOSA-N |
| INCHI | 1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)/t16-/m0/s1 |
| Isomeric SMILES | CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)[C@H](C2=CC(=CC(=C2)F)F)O |
| Alternate CAS | 1184940-46-2 |
| MeSH Entry Terms | EMD 638683;EMD-638683;EMD638683 |
| Molecular Weight | 364.34 |
| Reaxy-Rn | 21240670 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21240670&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylacetamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylacetamides |
| Alternative Parents | m-Toluamides Benzoic acids and derivatives Ortho cresols Benzoyl derivatives Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Secondary alcohols Carboxylic acid hydrazides Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylacetamide - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Secondary alcohol - Carboxylic acid hydrazide - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. |
| External Descriptors | Not available |
| Solubility | DMSO : ≥ 100 mg/mL (274.47 mM) |
|---|---|
| Molecular Weight | 364.300 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 364.123 Da |
| Monoisotopic Mass | 364.123 Da |
| Topological Polar Surface Area | 98.700 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 498.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
