Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5693112337
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 | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
-
2
MCULE-1301637643
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5693112337.sdf |
| SMILES | MCULE-5693112337.smiles |
| Standard InChI | MCULE-5693112337.inchi |
| InChIKey | MCULE-5693112337.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-885980755 | 95 | As is | by synthesis |
| P-899941797 | N/A | As is | by synthesis |
| P-901895212 | 95 | As is | by synthesis |
| P-601045768 | 90 | As is | 212 mg |
| P-601233268 | 95 | As is | 212 mg |
| P-855286661 | 90 | As is | in stock |
| P-886613903 | 95 | Main component | in stock |
| P-875798629 | N/A | Main component | in stock |
| P-590363219 | 95 | Main component | in stock |
| P-903153975 | 95 | Main component | 2.5 g |
| P-851743814 | N/A | Main component | by synthesis |
| P-596516243 | 90 | Main component | 1000 mg |
| P-869990854 | 90 | Main component | 1000 mg |
| P-889798175 | 95 | Main component | by synthesis |
| P-590924077 | 95 | Main component | by synthesis |
| P-504752864 | 90 | Main component | 10 mg |
| P-620802468 | 95 | Main component | in stock |
| P-861389653 | 95 | Main component | by synthesis |
| P-502448675 | 95 | Main component | by synthesis |
| P-675354890 | 90 | Main component | in stock |
| P-502798962 | 90 | Main component | in stock |
| P-492220448 | 95 | Main component | in stock |
| P-488548341 | 90 | Main component | in stock |
| P-12702941 | 95 | Main component | 283 mg |
| P-588711343 | 95 | Main component | unavailable |
| P-579742652 | 90 | Main component | 157 mg |
| P-14055150 | 95 | Main component | 157 mg |
| P-588250620 | N/A | Main component | by synthesis |
| P-852383320 | N/A | Main component | in stock |
| P-854840562 | 95 | Main component | by synthesis |
| P-454367375 | 92 | Main component | in stock |
| P-13734533 | 92 | Main component | 300 mg |
| P-18856738 | 90 | Main component | in stock |
| P-502334641 | 90 | Main component | in stock |
| P-903639998 | 94 | Main component | by resynthesis (? - ? days) |
| P-611384275 | 90 | Main component | in stock |
| P-987354 | 90 | Main component | 4.803 g |
| P-3224300 | 90 | Main component | 4.803 g |
| P-893860582 | 95 | Main component | by synthesis |
| P-892975303 | N/A | Main component as a main component | by synthesis |
| P-893454884 | 90 | Main component as a main component | 4.669 g |
| P-617648752 | 90 | Main component as a main component | in stock |
| P-619303835 | 90 | Main component as a main component | 53.995 g |
| P-861530862 | 95 | Main component as a main component | by synthesis |
| P-34702119 | 90 | Main component as a main component | by synthesis |
| P-580786830 | 90 | Main component as a main component | by resynthesis (? - ? days) |
| P-502440705 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 444.909 |
| logP | 4.7424 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 131.96 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 121.47 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 25 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
