≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated 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.
| Pubchem Sid | 504772615 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772615 |
| Canonical Smiles | CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C.Cl |
| IUPAC Name | 1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one;hydrochloride |
| InChIKey | GULNFUQAVPTTQV-UHFFFAOYSA-N |
| INCHI | 1S/C20H25ClN4O3S.ClH/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28;/h10-13H,4-9H2,1-3H3;1H |
| Isomeric SMILES | CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C.Cl |
| PubChem CID | 90489027 |
| Molecular Weight | 473.42 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Bipyridines and oligopyridines Dialkylarylamines Aminopyridines and derivatives Methylpyridines Aryl chlorides Imidolactams Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Bipyridine - Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Carboxamide group - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2308860 | Certificate of Analysis | Dec 10, 2025 | P287187 |
| C2308861 | Certificate of Analysis | Dec 10, 2025 | P287187 |
| C2308883 | Certificate of Analysis | Dec 10, 2025 | P287187 |
| C2308974 | Certificate of Analysis | Dec 10, 2025 | P287187 |
| C2308977 | Certificate of Analysis | Dec 10, 2025 | P287187 |
| C2505011 | Certificate of Analysis | Dec 02, 2022 | P287187 |
| Solubility | Solvent:water, Max Conc. mg/mL: 47.34, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 47.34, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 473.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 472.11 Da |
| Monoisotopic Mass | 472.11 Da |
| Topological Polar Surface Area | 91.900 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 663.000 |
| 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 | 2 |
