MCULE-8504693347
- 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 | 12 USD | 95 | 22 working days | Get Quote |
| 5 mg | 26 USD | 95 | 20 working days | Get Quote |
| 10 mg | 39 USD | 95 | 20 working days | Get Quote |
- 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-8504693347.sdf |
| SMILES | MCULE-8504693347.smiles |
| Standard InChI | MCULE-8504693347.inchi |
| InChIKey | MCULE-8504693347.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867551025 | 95 | As is | in stock |
| P-875708932 | N/A | As is | in stock |
| P-505389467 | 98 | As is | in stock |
| P-505396811 | 98 | As is | in stock |
| P-903035024 | 95 | As is | 3 g |
| P-893466062 | 90 | As is | 8.504 g |
| P-875894925 | N/A | As is | in stock |
| P-606845792 | N/A | As is | in stock |
| P-489219010 | 97 | As is | in stock |
| P-596941585 | 95 | As is | 3 g |
| P-864127721 | 95 | As is | in stock |
| P-590600960 | 95 | As is | 450 mg |
| P-901464297 | 95 | As is | by synthesis |
| P-851271922 | 95 | As is | by synthesis |
| P-860800165 | 98 | As is | in stock |
| P-861501143 | 95 | As is | by synthesis |
| P-579481333 | 95 | As is | in stock |
| P-870660021 | N/A | As is | in stock |
| P-675216113 | 95 | As is | in stock |
| P-588712038 | 97 | As is | unavailable |
| P-615634587 | 95 | As is | in stock |
| P-579615152 | 95 | As is | 5 g |
| P-873389227 | N/A | As is | by synthesis |
| P-904640896 | 95 | As is | by synthesis |
| P-854716532 | 95 | As is | in stock |
| P-474026859 | 95 | As is | in stock |
| P-608272941 | 98 | As is | in stock |
| P-888839607 | N/A | As is | by synthesis |
| P-491318616 | 95 | As is | by synthesis |
| P-579713055 | N/A | As is | in stock |
| P-869126906 | 95 | As is | by synthesis |
| P-892291137 | 95 | As is | unavailable |
| P-888640139 | 95 | As is | 74 mg |
| P-906761658 | 99 | As is | by synthesis |
| P-480329823 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 205.217 |
| logP | 1.2987 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 78.85 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.3814 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

