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) |
|---|
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.
| Sonrisas canónicas | FC(Oc1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2c1c(ccc2)c1noc(n1)C(O)(C)C)C(F)(F)F)(F)F |
|---|---|
| IUPAC Name | 2-[3-[6-[4-(trifluoromethoxy)phenyl]sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol |
| InChIKey | WQQNCCUPGPFWOI-UHFFFAOYSA-N |
| INCHI | 1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33) |
| Isómeros SMILES | CC(C)(C1=NC(=NO1)C2=C3C(=CC=C2)NC4=C(CN3S(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F)C=CC(=N4)C(F)(F)F)O |
| PubChem CID | 46200989 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodiazepines |
| Alternative Parents | Pyridodiazepines Benzenesulfonamides Benzenesulfonyl compounds Phenol ethers Phenoxy compounds 1,4-diazepines Imidolactams Organosulfonamides Pyridines and derivatives 1,2,4-oxadiazoles Heteroaromatic compounds Sulfonyls Tertiary alcohols Trihalomethanes Azacyclic compounds Oxacyclic compounds Secondary amines Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido-para-diazepine - Benzodiazepine - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Para-diazepine - Pyridine - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Imidolactam - 1,2,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Tertiary alcohol - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Trihalomethane - Oxacycle - Azacycle - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic alcohol - Alcohol - Aromatic heteropolycyclic compound |
| Descripción | 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 | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| 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 |
|---|
| Peso molecular | 615.500 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 5 |
| Exact Mass | 615.101 Da |
| Monoisotopic Mass | 615.101 Da |
| Topological Polar Surface Area | 139.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1050.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →