Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7685898673
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 | 50 USD | 90 | 21 working days | Get Quote |
| 5 mg | 65 USD | 90 | 12 working days | Get Quote |
| 10 mg | 65 USD | 90 | 12 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.
-
1
MCULE-3700648013
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7685898673.sdf |
| SMILES | MCULE-7685898673.smiles |
| Standard InChI | MCULE-7685898673.inchi |
| InChIKey | MCULE-7685898673.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886632470 | 95 | Main component | in stock |
| P-889936584 | N/A | Main component | by synthesis |
| P-613855601 | 95 | Main component | in stock |
| P-903180088 | 95 | Main component | 1000 mg |
| P-580217439 | 95 | Main component | by synthesis |
| P-596404894 | 90 | Main component | 1000 mg |
| P-596514479 | 90 | Main component | 1000 mg |
| P-901357851 | 95 | Main component | by synthesis |
| P-901453615 | 95 | Main component | by synthesis |
| P-454638060 | 90 | Main component | in stock |
| P-436459529 | 95 | Main component | 2 g |
| P-861530703 | 95 | Main component | by synthesis |
| P-579490344 | 90 | Main component | 9.37 g |
| P-890206404 | 90 | Main component | 9.37 g |
| P-588717251 | 95 | Main component | unavailable |
| P-524171949 | 95 | Main component | unavailable |
| P-888159994 | 95 | Main component | by synthesis |
| P-852386217 | N/A | Main component | in stock |
| P-854866025 | 95 | Main component | by synthesis |
| P-519877422 | 90 | Main component | in stock |
| P-502335500 | 90 | Main component | in stock |
| P-903652600 | 94 | Main component | by resynthesis (? - ? days) |
| P-855228852 | 90 | Main component | in stock |
| P-893783467 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 305.197 |
| logP | 2.3875 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 32.78 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 85.962 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
