MCULE-4560602489-0
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-4560602489-0.sdf |
| SMILES | MCULE-4560602489-0.smiles |
| Standard InChI | MCULE-4560602489-0.inchi |
| InChIKey | MCULE-4560602489-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860609741 | 95 | As is | by synthesis |
| P-890150991 | N/A | As is | in stock |
| P-853425653 | 98 | As is | in stock |
| P-901179473 | N/A | As is | in stock |
| P-489180196 | 97 | As is | in stock |
| P-596278850 | 90 | As is | 112 mg |
| P-596486867 | 90 | As is | 112 mg |
| P-474029688 | 95 | As is | in stock |
| P-865981148 | 95 | As is | in stock |
| P-864201992 | 95 | As is | in stock |
| P-901918375 | 95 | As is | 2.2 g |
| P-901450792 | 95 | As is | by synthesis |
| P-4184906 | 90 | As is | 100 mg |
| P-893361893 | 90 | As is | 1000 mg |
| P-454685168 | 90 | As is | in stock |
| P-15151511 | 90 | As is | 12 mg |
| P-436443390 | 90 | As is | 18.41 g |
| P-330291 | 90 | As is | 1.027 g |
| P-861305402 | 95 | As is | 2 g |
| P-870585057 | 98 | As is | in stock |
| P-34779271 | 90 | As is | by synthesis |
| P-580787954 | 90 | As is | by resynthesis (? - ? days) |
| P-580306401 | 95 | As is | by resynthesis (? - ? days) |
| P-502887020 | 90 | As is | in stock |
| P-488543807 | 90 | As is | in stock |
| P-12600355 | 95 | As is | 300 mg |
| P-596569207 | 97 | As is | 1000 mg |
| P-14069872 | 90 | As is | 64 mg |
| P-901840077 | 95 | As is | by synthesis |
| P-617686025 | 95 | As is | 95 mg |
| P-26369695 | 90 | As is | 95 mg |
| P-454364698 | 92 | As is | in stock |
| P-674447143 | 92 | As is | 300 mg |
| P-491072050 | 95 | As is | by synthesis |
| P-424834437 | 90 | As is | in stock |
| P-33443548 | 90 | As is | in stock |
| P-502337481 | 90 | As is | in stock |
| P-903658779 | 94 | As is | by resynthesis (? - ? days) |
| P-875194534 | 90 | As is | 3 mg |
| P-875194427 | 90 | As is | 3 mg |
| P-875193061 | 90 | As is | 3 mg |
| P-875192684 | 90 | As is | 3 mg |
| P-611402623 | 90 | As is | in stock |
| P-1134751 | 90 | As is | 266 mg |
| P-615414333 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.178 |
| logP | 1.7012 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 67.51 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.7015 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| 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 |

