≥98% 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.
ATP synthase inhibitor 1 is a potent inhibitor of c subunit of the F1/FO-ATP synthase complex, inhibits mitochondrial permeability transition pore (mPTP) opening, does not affect ATP levels
| Canonical Smiles | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl |
|---|---|
| IUPAC Name | 8-(5-chlorothiophen-2-yl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
| InChIKey | RYWWSVHLSVFIIG-UHFFFAOYSA-N |
| INCHI | 1S/C17H18ClN3O3S2/c18-14-6-7-15(25-14)26(23,24)20-10-8-17(9-11-20)16(22)19-12-21(17)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,19,22) |
| Isomeric SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl |
| Molecular Weight | 411.9 |
| Reaxy-Rn | 33407147 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33407147&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 | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylimidazolidines |
| Alternative Parents | Alpha amino acids and derivatives Azaspirodecane derivatives Aniline and substituted anilines Dialkylarylamines 2,5-disubstituted thiophenes Piperidines Organosulfonamides Imidazolidinones Aryl chlorides Sulfonyls Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylimidazolidine - Alpha-amino acid or derivatives - Azaspirodecane - Dialkylarylamine - Aniline or substituted anilines - 2,5-disubstituted thiophene - Imidazolidinone - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Piperidine - Organosulfonic acid amide - Heteroaromatic compound - Thiophene - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactam - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2426299 | Certificate of Analysis | Dec 25, 2023 | A413026 |
| A2426301 | Certificate of Analysis | Dec 25, 2023 | A413026 |
| A2426302 | Certificate of Analysis | Dec 25, 2023 | A413026 |
| A2426303 | Certificate of Analysis | Dec 25, 2023 | A413026 |
| A2426305 | Certificate of Analysis | Dec 25, 2023 | A413026 |
| Molecular Weight | 411.900 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 411.048 Da |
| Monoisotopic Mass | 411.048 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 640.000 |
| 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 |
