Physicochemical Properties
| Molecular Formula | C28H37N2OF |
| Molecular Weight | 436.60458 |
| Exact Mass | 436.289 |
| CAS # | 142720-24-9 |
| PubChem CID | 132496 |
| Appearance | Off-white to light yellow solid powder |
| Density | 1.073g/cm3 |
| Boiling Point | 608.3ºC at 760mmHg |
| Flash Point | 321.7ºC |
| Vapour Pressure | 9.6E-15mmHg at 25°C |
| Index of Refraction | 1.562 |
| LogP | 7.505 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 32 |
| Complexity | 522 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | FC1C=CC(C2=C(CC(N(CCCCCC)CCCCCC)=O)C3C(=CC=CC=3)N2)=CC=1 |
| InChi Key | VUWXAQFLTSBUDB-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3 |
| Chemical Name | 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide |
| 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]. Development of ligands for the peripheral benzodiazepine receptor. Curr Med Chem. 2006;13(17):1991-2001. |
| Additional Infomation | 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide is a phenylindole. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~229.04 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.73 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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. Solubility in Formulation 2: 2.5 mg/mL (5.73 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.73 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 | 2.2904 mL | 11.4521 mL | 22.9043 mL | |
| 5 mM | 0.4581 mL | 2.2904 mL | 4.5809 mL | |
| 10 mM | 0.2290 mL | 1.1452 mL | 2.2904 mL |