Physicochemical Properties
Molecular Formula | C13H14CLN3 |
Molecular Weight | 247.72 |
Exact Mass | 247.088 |
CAS # | 837-52-5 |
PubChem CID | 738389 |
Appearance | White to yellow solid powder |
Density | 1.257 g/cm3 |
Boiling Point | 433.5ºC at 760 mmHg |
Melting Point | 113-116ºC |
Flash Point | 216ºC |
Index of Refraction | 1.636 |
LogP | 2.691 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 1 |
Heavy Atom Count | 17 |
Complexity | 255 |
Defined Atom Stereocenter Count | 0 |
InChi Key | DNXNPMDUDGUXOB-UHFFFAOYSA-N |
InChi Code | InChI=1S/C13H14ClN3/c14-10-1-2-11-12(9-10)16-4-3-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2 |
Chemical Name | 7-chloro-4-piperazin-1-ylquinoline |
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
Targets | Plasmodium |
References |
[1]. Structural and biological survey of 7-chloro-4-(piperazin-1-yl)quinoline and its derivatives. Drug Dev Res. 2020 Nov;81(7):786-802. |
Solubility Data
Solubility (In Vitro) | DMSO : 16.67 mg/mL (67.29 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (6.74 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 16.7 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: ≥ 1.67 mg/mL (6.74 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 16.7 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: ≥ 1.67 mg/mL (6.74 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 16.7 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 | 4.0368 mL | 20.1841 mL | 40.3682 mL | |
5 mM | 0.8074 mL | 4.0368 mL | 8.0736 mL | |
10 mM | 0.4037 mL | 2.0184 mL | 4.0368 mL |