≥99% 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.
Sodium Channel inhibitor1, one of 3-Oxoisoindoline-1-carboxamides, is a novel and selective voltage-gated sodium channel for pain treatment.IC50 Value: 0.16 uM ( Na v1.7, V hold-90mV); 0.41 uM (Na v1.7, V hold-90mV) Target: Na v1.7 Sodium Channel inhibitor1 demonstrated concentration-dependent efficacy in preclinical behavioral pain models.
Form:Solid
| Canonical Smiles | C1=CC=NC(=C1)CCN2C(C3=C(C2=O)C=CC=C3F)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F |
|---|---|
| IUPAC Name | 7-fluoro-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide |
| InChIKey | GRXUKFHZQDPFAI-UHFFFAOYSA-N |
| INCHI | 1S/C24H19F4N3O3/c25-19-6-3-5-18-20(19)21(31(23(18)33)13-11-16-4-1-2-12-29-16)22(32)30-14-15-7-9-17(10-8-15)34-24(26,27)28/h1-10,12,21H,11,13-14H2,(H,30,32) |
| Isomeric SMILES | C1=CC=NC(=C1)CCN2C(C3=C(C2=O)C=CC=C3F)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F |
| PubChem CID | 44545403 |
| Molecular Weight | 473.42 |
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 | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Alpha amino acids and derivatives Isoindoles Phenoxy compounds Phenol ethers Pyridines and derivatives Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Trihalomethanes Tertiary amines Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Isoindolone - Isoindole - Phenoxy compound - Phenol ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Trihalomethane - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
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| Solubility | DMSO : 100 mg/mL (211.23 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 473.400 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 473.136 Da |
| Monoisotopic Mass | 473.136 Da |
| Topological Polar Surface Area | 71.500 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 714.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
