≥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.
FR-229934 is a PDE V inhibitor extracted from patent WO2019130052A1. FR-229934 can be used for the research of pulmonary arterial hypertension and erectile dysfunction
Form:Solid
IC50& Target:PDE V
| Sonrisas canónicas | CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC(=C(C=C3)Cl)Cl)C |
|---|---|
| IUPAC Name | 3-[(3,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide |
| InChIKey | QLXVZAXTUBLQJW-UHFFFAOYSA-N |
| INCHI | 1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)16-7-9-19-20(12-16)26(14(2)24-19)13-15-6-8-17(22)18(23)11-15/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27) |
| Isómeros SMILES | CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC(=C(C=C3)Cl)Cl)C |
| CAS alternativo | 799841-02-4,405551-89-5 |
| PubChem CID | 11259905 |
| Peso molecular | 468.40 |
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 | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Dichlorobenzenes N-substituted imidazoles Aryl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Azole - Imidazole - Azacycle - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Solubilidad | DMSO : 100 mg/mL (213.49 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 468.400 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 467.084 Da |
| Monoisotopic Mass | 467.084 Da |
| Topological Polar Surface Area | 89.400 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 687.000 |
| 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 |
