≥98%(HPLC) 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.
Product description：
GSK-3β inhibitor
| Canonical Smiles | CC1=C(C=C(C=C1)NC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl |
|---|---|
| IUPAC Name | N-(3-chloro-4-methylphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine |
| InChIKey | JYCNWQGNEJYDQS-UHFFFAOYSA-N |
| INCHI | 1S/C15H11ClN4O3/c1-9-2-5-11(8-13(9)16)17-15-19-18-14(23-15)10-3-6-12(7-4-10)20(21)22/h2-8H,1H3,(H,17,19) |
| Isomeric SMILES | CC1=C(C=C(C=C1)NC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl |
| PubChem CID | 49857866 |
| Molecular Weight | 330.73 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Aniline and substituted anilines Nitroaromatic compounds Toluenes Chlorobenzenes Aryl chlorides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organic zwitterions Organic oxides Organooxygen compounds Organic salts |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxoazanium - Organic zwitterion - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2308079 | Certificate of Analysis | Dec 12, 2025 | T288050 |
| C2308080 | Certificate of Analysis | Dec 12, 2025 | T288050 |
| C2308081 | Certificate of Analysis | Dec 12, 2025 | T288050 |
| C2308082 | Certificate of Analysis | Dec 12, 2025 | T288050 |
| C2308083 | Certificate of Analysis | Dec 12, 2025 | T288050 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 3.31, Max Conc. mM: 10 with gentle warming |
|---|---|
| Molecular Weight | 330.720 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 330.052 Da |
| Monoisotopic Mass | 330.052 Da |
| Topological Polar Surface Area | 96.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 414.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
