Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
≥98%(HPLC) 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.
| Pubchem Sid | 504764120 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764120 |
| Canonical Smiles | CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C.Cl.Cl |
| IUPAC Name | 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one;dihydrochloride |
| InChIKey | JTQJFSQQHGPLOX-UHFFFAOYSA-N |
| INCHI | 1S/C19H22N4O2S.2ClH/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22;;/h3-6,12H,7-11H2,1-2H3,(H,20,25);2*1H |
| Isomeric SMILES | CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C.Cl.Cl |
| PubChem CID | 6419995 |
| Molecular Weight | 443.39 |
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 | Benzodiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodiazepines |
| Alternative Parents | Alpha amino acids and derivatives Thienodiazepines N-piperazineacetamides 1,4-diazepines N-methylpiperazines Benzenoids Vinylogous amides Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodiazepine - Alpha-amino acid or derivatives - N-piperazineacetamide - Thieno-para-diazepine - Para-diazepine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Thiophene - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms). |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
|---|---|---|---|
| Certificate of Analysis | Sep 25, 2023 | T287790 | |
| Certificate of Analysis | Sep 25, 2023 | T287790 | |
| Certificate of Analysis | Sep 25, 2023 | T287790 | |
| Certificate of Analysis | Sep 25, 2023 | T287790 | |
| Certificate of Analysis | Sep 25, 2023 | T287790 | |
| Certificate of Analysis | Sep 25, 2023 | T287790 | |
| Certificate of Analysis | Sep 25, 2023 | T287790 | |
| Certificate of Analysis | Sep 25, 2023 | T287790 |
| Solubility | Solvent:water, Max Conc. mg/mL: 44.34, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 443.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 442.1 Da |
| Monoisotopic Mass | 442.1 Da |
| Topological Polar Surface Area | 84.100 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 552.000 |
| 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 | 3 |