Physicochemical Properties
| Molecular Formula | C17H13N2O3CL |
| Molecular Weight | 328.75 |
| Exact Mass | 328.061 |
| CAS # | 264210-49-3 |
| PubChem CID | 6539459 |
| Appearance | White to yellow solid powder |
| LogP | 3.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 23 |
| Complexity | 520 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1C=CC=C(NC2=C(C3=CC=CC=C3OC)C(=O)NC2=O)C=1 |
| InChi Key | DQYDZCRLDYVZKY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C17H13ClN2O3/c1-23-13-8-3-2-7-12(13)14-15(17(22)20-16(14)21)19-11-6-4-5-10(18)9-11/h2-9H,1H3,(H2,19,20,21,22) |
| Chemical Name | 3-(3-chloroanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione |
| 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 |
[1]. Discovery of a Potent Dual SLK/STK10 Inhibitor Based on a Maleimide Scaffold. J Med Chem. 2021 Sep 23;64(18):13259-13278. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (304.18 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.60 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0418 mL | 15.2091 mL | 30.4183 mL | |
| 5 mM | 0.6084 mL | 3.0418 mL | 6.0837 mL | |
| 10 mM | 0.3042 mL | 1.5209 mL | 3.0418 mL |