MCULE-4865304596
- 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 | 16 USD | 97 | 20 working days | Get Quote |
| 5 mg | 16 USD | 97 | 20 working days | Get Quote |
| 10 mg | 16 USD | 97 | 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-4865304596.sdf |
| SMILES | MCULE-4865304596.smiles |
| Standard InChI | MCULE-4865304596.inchi |
| InChIKey | MCULE-4865304596.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901276402 | 98 | As is | in stock |
| P-894643819 | 95 | As is | by resynthesis (? - ? days) |
| P-1264596326 | 97 | As is | 500 g |
| P-1270336680 | 98 | As is | in stock |
| P-1264209941 | N/A | As is | in stock |
| P-1271970147 | 97 | As is | 255 g |
| P-596518464 | 90 | As is | 1000 mg |
| P-596469886 | 90 | As is | 1000 mg |
| P-1268697812 | 95 | As is | in stock |
| P-1274434670 | 97 | As is | 112.3 g |
| P-427950947 | 90 | As is | 5 mg |
| P-893361061 | 90 | As is | 1000 mg |
| P-454615819 | 90 | As is | in stock |
| P-3301543 | 90 | As is | 13.395 g |
| P-436452371 | 95 | As is | in stock |
| P-425206498 | 90 | As is | in stock |
| P-870586740 | 98 | As is | in stock |
| P-1273124243 | 97 | As is | 1.288 kg |
| P-504608528 | 90 | As is | by synthesis |
| P-488550117 | 90 | As is | in stock |
| P-13747507 | 92 | As is | 300 mg |
| P-855971625 | 97 | As is | 1000 mg |
| P-852406444 | N/A | As is | by synthesis |
| P-1272571446 | N/A | As is | in stock |
| P-1263151663 | 95 | As is | in stock |
| P-644821918 | 90 | As is | by synthesis |
| P-454371951 | 92 | As is | in stock |
| P-23796945 | 92 | As is | 300 mg |
| P-19577222 | 90 | As is | in stock |
| P-424999057 | 90 | As is | in stock |
| P-903656713 | 94 | As is | by resynthesis (? - ? days) |
| P-424768221 | 90 | As is | 163 mg |
| P-1279255744 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.213 |
| logP | 1.7309 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 97.95 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.009 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

