Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5702547527
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-5563720734
- Component type: Main
-
3
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5702547527.sdf |
| SMILES | MCULE-5702547527.smiles |
| Standard InChI | MCULE-5702547527.inchi |
| InChIKey | MCULE-5702547527.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867521669 | N/A | As is | by synthesis |
| P-867566498 | 98 | Main component | in stock |
| P-875725950 | N/A | Main component | in stock |
| P-881671157 | 95 | Main component | in stock |
| P-505399141 | 98 | Main component | in stock |
| P-903055099 | 98 | Main component | 10 g |
| P-1264046667 | 95 | Main component | in stock |
| P-610958896 | 90 | Main component | 79.897 g |
| P-875897005 | N/A | Main component | in stock |
| P-606850509 | N/A | Main component | in stock |
| P-596947234 | 98 | Main component | 25 g |
| P-580193414 | 98 | Main component | in stock |
| P-596659541 | 95 | Main component | 85 g |
| P-864126026 | 95 | Main component | in stock |
| P-900155441 | 99 | Main component | in stock |
| P-868544338 | 98 | Main component | in stock |
| P-580706629 | 98 | Main component | 6 g |
| P-871218700 | N/A | Main component | by resynthesis (? - ? days) |
| P-893235897 | 95 | Main component | in stock |
| P-881633973 | 98 | Main component | in stock |
| P-851246167 | 95 | Main component | by synthesis |
| P-860797742 | 98 | Main component | in stock |
| P-861463582 | 95 | Main component | by synthesis |
| P-579478422 | 95 | Main component | in stock |
| P-505544648 | 95 | Main component | in stock |
| P-588708702 | 98 | Main component | 89 mg |
| P-579623738 | 95 | Main component | 25 g |
| P-852494660 | N/A | Main component | in stock |
| P-896627983 | 95 | Main component | by synthesis |
| P-854713415 | 95 | Main component | in stock |
| P-474025986 | 95 | Main component | in stock |
| P-608277994 | 98 | Main component | in stock |
| P-579710218 | N/A | Main component | in stock |
| P-869129550 | 95 | Main component | by synthesis |
| P-892291833 | 95 | Main component | 1.677 g |
| P-888641758 | 95 | Main component | 1.677 g |
| P-611427387 | 90 | Main component | in stock |
| P-867614734 | 98 | Main component as a main component | in stock |
| P-875775605 | N/A | Main component as a main component | in stock |
| P-903116771 | 99 | Main component as a main component | 10 g |
| P-1264052907 | 95 | Main component as a main component | in stock |
| P-893482105 | 90 | Main component as a main component | 24.374 g |
| P-895169100 | N/A | Main component as a main component | in stock |
| P-489118417 | 97 | Main component as a main component | in stock |
| P-888817021 | 99 | Main component as a main component | 10 g |
| P-871218549 | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-901462616 | 95 | Main component as a main component | by synthesis |
| P-851278889 | 95 | Main component as a main component | by synthesis |
| P-861517063 | 95 | Main component as a main component | by synthesis |
| P-675216993 | 95 | Main component as a main component | in stock |
| P-524166977 | 95 | Main component as a main component | 100 mg |
| P-608121117 | 99 | Main component as a main component | 25 g |
| P-905146093 | 95 | Main component as a main component | by synthesis |
| P-863724042 | 95 | Main component as a main component | in stock |
| P-474025987 | 95 | Main component as a main component | in stock |
| P-869129571 | 95 | Main component as a main component | by synthesis |
| P-892291834 | 95 | Main component as a main component | 1.214 g |
| P-888641769 | 95 | Main component as a main component | 1.214 g |
| P-855344723 | 90 | Main component as a main component | in stock |
| P-894012808 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 641.937 |
| logP | 6.8108 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 65.77 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 170.9952 |
| Atoms | 72 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 30 |
| Heteroatoms | 13 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
