MCULE-4117121863
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 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.
-
MCULE-7583665513
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4117121863.sdf |
| SMILES | MCULE-4117121863.smiles |
| Standard InChI | MCULE-4117121863.inchi |
| InChIKey | MCULE-4117121863.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892978610 | N/A | As is | by synthesis |
| P-894661369 | 95 | As is | in stock |
| P-851806469 | N/A | As is | by synthesis |
| P-591113720 | 97 | As is | by synthesis |
| P-666909048 | 85 | As is | 50 mg |
| P-34539962 | 90 | As is | in stock |
| P-580275588 | 95 | As is | by resynthesis (? - ? days) |
| P-502444900 | 95 | As is | by synthesis |
| P-502596861 | 90 | As is | in stock |
| P-492214188 | 95 | As is | in stock |
| P-613333434 | 95 | As is | by synthesis |
| P-852506854 | N/A | As is | in stock |
| P-35212788 | 90 | As is | 7.783 kg |
| P-854893343 | 95 | As is | by synthesis |
| P-856063269 | 95 | As is | in stock |
| P-34122339 | 90 | As is | in stock |
| P-22720415 | 90 | As is | in stock |
| P-502350346 | 90 | As is | in stock |
| P-907286145 | 94 | As is | by resynthesis (? - ? days) |
| P-907190408 | 94 | As is | by resynthesis (? - ? days) |
| P-907285516 | 94 | As is | by resynthesis (? - ? days) |
| P-907263460 | 94 | As is | by resynthesis (? - ? days) |
| P-855247014 | 90 | As is | in stock |
| P-578064858 | 90 | As is | 110 mg |
| P-893865626 | 95 | As is | by synthesis |
| P-893752948 | 95 | As is | by synthesis |
| P-675256526 | 95 | As a main component | by synthesis |
| P-675515296 | 90 | As a main component | by synthesis |
| P-675344359 | 90 | As a main component | in stock |
| P-675486025 | 95 | As a main component | in stock |
| P-896153778 | 90 | As a main component | 1 mg |
| P-873218275 | 90 | As a main component | in stock |
| P-907286155 | 94 | As a main component | by resynthesis (? - ? days) |
| P-907190541 | 94 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.258 |
| logP | 1.6865 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 63.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.4138 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

