MCULE-8122570588
- 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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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-8122570588.sdf |
| SMILES | MCULE-8122570588.smiles |
| Standard InChI | MCULE-8122570588.inchi |
| InChIKey | MCULE-8122570588.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867566020 | 98 | As is | in stock |
| P-875725482 | N/A | As is | in stock |
| P-535625976 | 95 | As is | in stock |
| P-869304639 | 99 | As is | in stock |
| P-505393621 | 98 | As is | in stock |
| P-903054773 | 98 | As is | 1000 g |
| P-606936128 | N/A | As is | in stock |
| P-489132039 | 97 | As is | in stock |
| P-596947114 | 98 | As is | 5.5 kg |
| P-872725619 | 98 | As is | in stock |
| P-494327832 | 95 | As is | by resynthesis (? - ? days) |
| P-864142081 | 98 | As is | in stock |
| P-901465526 | 95 | As is | by synthesis |
| P-4181070 | 90 | As is | 50 mg |
| P-22426003 | 90 | As is | 91 mg |
| P-448863678 | 90 | As is | 91 mg |
| P-881630266 | 98 | As is | in stock |
| P-578505286 | 90 | As is | in stock |
| P-851268285 | 95 | As is | by synthesis |
| P-868599206 | 98 | As is | in stock |
| P-905350041 | 98 | As is | 260 g |
| P-13922741 | 95 | As is | 73 mg |
| P-454352300 | 95 | As is | 100 mg |
| P-454417273 | 95 | As is | 50 g |
| P-608115394 | 98 | As is | unavailable |
| P-31197281 | 90 | As is | unavailable |
| P-852496856 | N/A | As is | in stock |
| P-895187263 | 95 | As is | in stock |
| P-854690962 | 95 | As is | in stock |
| P-584627393 | 95 | As is | in stock |
| P-878641851 | 98 | As is | in stock |
| P-26434090 | 90 | As is | 75 mg |
| P-885545880 | 95 | As is | by synthesis |
| P-23887937 | 90 | As is | in stock |
| P-579710896 | N/A | As is | in stock |
| P-12282264 | 90 | As is | 51 mg |
| P-892238342 | 95 | As is | by synthesis |
| P-869176344 | 95 | As is | in stock |
| P-892292885 | 95 | As is | unavailable |
| P-892328277 | 95 | As is | 201 mg |
| P-502373000 | 90 | As is | in stock |
| P-33162201 | 90 | As is | 275 mg |
| P-611382725 | 90 | As is | in stock |
| P-1267926 | 90 | As is | 9 mg |
| P-886926186 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 196.200 |
| logP | 2.9462 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 30.21 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.99 |
| Atoms | 23 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

