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™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a 2-8°C Ships Hielo húmedo 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.
| Sonrisas canónicas | CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C |
|---|---|
| IUPAC Name | 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid |
| InChIKey | SXKPGYKPQPYJER-UHFFFAOYSA-N |
| INCHI | 1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34) |
| Isómeros SMILES | CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C |
| Peso molecular | 483.56 |
| Reaxy-Rn | 8522214 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8522214&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 |
| Clase | Benzodiazepines |
| Subclass | Dibenzodiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzodiazepines |
| Alternative Parents | Alkyldiarylamines 1,4-benzodiazepines Tetralins Benzoic acids Benzoyl derivatives Nitroaromatic compounds Amino acids Ketimines Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzodiazepine - Alkyldiarylamine - 1,4-benzodiazepine - Tetralin - Benzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Ketimine - C-nitro compound - Tertiary amine - Organic nitro compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Imine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring. |
| External Descriptors | Not available |
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| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 9.67, Max Conc. mM: 20 |
|---|---|
| Peso molecular | 483.600 g/mol |
| XLogP3 | 7.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 483.216 Da |
| Monoisotopic Mass | 483.216 Da |
| Topological Polar Surface Area | 98.700 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 901.000 |
| 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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