Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6944067053
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 24 USD | 98 | 20 working days | Get Quote |
| 10 mg | 24 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-6944067053.sdf |
| SMILES | MCULE-6944067053.smiles |
| Standard InChI | MCULE-6944067053.inchi |
| InChIKey | MCULE-6944067053.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867606490 | 95 | As is | in stock |
| P-875764921 | N/A | As is | in stock |
| P-612939411 | 95 | As is | in stock |
| P-903102104 | 98 | As is | 25 g |
| P-893512301 | 90 | As is | 183.75 g |
| P-878260842 | N/A | As is | in stock |
| P-873292250 | 98 | As is | 10 g |
| P-869990923 | 90 | As is | 1000 mg |
| P-889585374 | 95 | As is | in stock |
| P-878234603 | 95 | As is | 15.601 g |
| P-492247736 | 95 | As is | in stock |
| P-619933674 | 90 | As is | by synthesis |
| P-436458059 | 95 | As is | 78 g |
| P-19958777 | 90 | As is | in stock |
| P-868633721 | 98 | As is | in stock |
| P-34488090 | 90 | As is | by synthesis |
| P-864497345 | 90 | As is | in stock |
| P-428629719 | 90 | As is | in stock |
| P-569434327 | 95 | As is | 1.05 g |
| P-861974507 | 95 | As is | 24.29 g |
| P-890203279 | 90 | As is | 1000 mg |
| P-890223678 | 90 | As is | 1000 mg |
| P-502565032 | 95 | As is | by synthesis |
| P-580041807 | 90 | As is | in stock |
| P-580005782 | 95 | As is | in stock |
| P-488544418 | 90 | As is | in stock |
| P-13735769 | 95 | As is | 300 mg |
| P-596588400 | 90 | As is | 5 g |
| P-525317123 | 95 | As is | 192 mg |
| P-601052268 | 90 | As is | 192 mg |
| P-588252541 | N/A | As is | by synthesis |
| P-852387309 | N/A | As is | in stock |
| P-895221082 | 95 | As is | in stock |
| P-674921601 | 90 | As is | 1.05 g |
| P-620235339 | 95 | As is | 1.05 g |
| P-454364040 | 92 | As is | in stock |
| P-864652479 | 92 | As is | 300 mg |
| P-856063713 | 95 | As is | in stock |
| P-19554055 | 90 | As is | in stock |
| P-502329823 | 90 | As is | in stock |
| P-22515961 | 90 | As is | 1000 mg |
| P-906835739 | 95 | As is | by synthesis |
| P-611386159 | 90 | As is | in stock |
| P-3228884 | 90 | As is | 2.851 g |
| P-1049327 | 90 | As is | 2.851 g |
| P-872756309 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 196.156 |
| logP | 0.8787 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 64.99 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.5758 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
