Physicochemical Properties
| Molecular Formula | C15H14FN3 |
| Molecular Weight | 255.290166378021 |
| Exact Mass | 255.117 |
| CAS # | 1458664-10-2 |
| PubChem CID | 60979451 |
| Appearance | Pink to red solid powder |
| LogP | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 19 |
| Complexity | 302 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC1C=CC2=C(C=1)NC(C1C=CC(=CC=1)N(C)C)=N2 |
| InChi Key | ALWZHAOGGMSYPG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H14FN3/c1-19(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)18-15/h3-9H,1-2H3,(H,17,18) |
| Chemical Name | 4-(6-fluoro-1H-benzimidazol-2-yl)-N,N-dimethylaniline |
| 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
| ln Vitro | In HCT116 cells, β-catenin/Tcf-4 transcriptional activity is dose-dependently inhibited by β-catenin-IN-2 (10–40 μM) [1]. |
| References |
[1]. Inhibitors of beta-catenin in treatment of colorectal cancer. Patent US20150374662A1. |
Solubility Data
| Solubility (In Vitro) | DMSO: 83.33 mg/mL (326.41 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.15 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 20.8 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 | 3.9171 mL | 19.5856 mL | 39.1711 mL | |
| 5 mM | 0.7834 mL | 3.9171 mL | 7.8342 mL | |
| 10 mM | 0.3917 mL | 1.9586 mL | 3.9171 mL |