Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sorrisi canonici | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 |
|---|---|
| IUPAC Name | 1-chloro-11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one |
| InChIKey | UFJWXHOFKIGIAF-UHFFFAOYSA-N |
| INCHI | 1S/C21H22ClN3O2/c1-24-11-9-14(10-12-24)13-19(26)25-18-8-3-2-5-15(18)21(27)23-17-7-4-6-16(22)20(17)25/h2-8,14H,9-13H2,1H3,(H,23,27) |
| Isomeri SMILES | CN1CCC(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2C(=CC=C4)Cl |
| PubChem CID | 129140 |
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 |
| Classe | Benzodiazepines |
| Subclass | 1,4-benzodiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-benzodiazepines |
| Alternative Parents | Piperidines Benzenoids Aryl chlorides Vinylogous amides Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,4-benzodiazepine - Benzenoid - Piperidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine. |
| External Descriptors | Not available |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Peso molecolare | 383.900 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 383.14 Da |
| Monoisotopic Mass | 383.14 Da |
| Topological Polar Surface Area | 52.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 564.000 |
| 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 |
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