≥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.
Padsevonil (UCB0942) is a first-in-class and potent antiepileptic agent. Padsevonil can be used for the research of epilepsy.
Form:Solid
| ALogP | 2.5 |
|---|
| Canonical Smiles | COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3CC(CC3=O)CC(F)(F)Cl |
|---|---|
| IUPAC Name | (4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one |
| InChIKey | DCXFIOLWWRXEQH-SSDOTTSWSA-N |
| INCHI | 1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1 |
| Isomeric SMILES | COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3C[C@H](CC3=O)CC(F)(F)Cl |
| Alternate CAS | 1294000-61-5 |
| PubChem CID | 52911611 |
| MeSH Entry Terms | (4R)-4-(2-Chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)-2-pyrrolidinone;2-Pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)-1,3,4-thiadia |
| Molecular Weight | 432.80 |
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 | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | N-substituted imidazoles |
| Alternative Parents | Pyrrolidine-2-ones N-alkylpyrrolidines Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Dialkyl ethers Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Carbonyl compounds Alkyl chlorides Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-substituted imidazole - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Thiadiazole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1. |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (231.05 mM);Water : < 0.1 mg/mL (insoluble) |
|---|---|
| Molecular Weight | 432.800 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 432.045 Da |
| Monoisotopic Mass | 432.045 Da |
| Topological Polar Surface Area | 88.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 572.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
