Physicochemical Properties
| Molecular Formula | C24H19F4N3O3 |
| Molecular Weight | 473.4196 |
| Exact Mass | 473.136 |
| CAS # | 1198117-23-5 |
| PubChem CID | 44545403 |
| Appearance | White to off-white solid powder |
| LogP | 4.953 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 34 |
| Complexity | 714 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | GRXUKFHZQDPFAI-UHFFFAOYSA-N |
| InChi Code | 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) |
| Chemical Name | 7-fluoro-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References | 3-Oxoisoindoline-1-carboxamides: potent, state-dependent blockers of voltage-gated sodium channel Na(V)1.7with efficacy in rat pain models. J Med Chem. 2012 Aug 9;55(15):6866-80. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~211.23 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.28 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1123 mL | 10.5614 mL | 21.1229 mL | |
| 5 mM | 0.4225 mL | 2.1123 mL | 4.2246 mL | |
| 10 mM | 0.2112 mL | 1.0561 mL | 2.1123 mL |