MCULE-8645804861
- 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 | 29 USD | 95 | 7 working days | Get Quote |
| 5 mg | 63 USD | 98 | 22 working days | Get Quote |
| 10 mg | 96 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-8645804861.sdf |
| SMILES | MCULE-8645804861.smiles |
| Standard InChI | MCULE-8645804861.inchi |
| InChIKey | MCULE-8645804861.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588399 | 98 | As is | in stock |
| P-875747389 | N/A | As is | in stock |
| P-595216166 | 98 | As is | in stock |
| P-903078657 | 95 | As is | 500 mg |
| P-893610001 | 90 | As is | 3.738 g |
| P-606865582 | N/A | As is | in stock |
| P-895094904 | 99 | As is | 150 mg |
| P-896036752 | 95 | As is | by synthesis |
| P-606956096 | 98 | As is | 1 mg |
| P-901537941 | 95 | As is | by synthesis |
| P-851242396 | 95 | As is | by synthesis |
| P-860798804 | 98 | As is | in stock |
| P-852520748 | N/A | As is | in stock |
| P-854712327 | 95 | As is | in stock |
| P-584627299 | 95 | As is | in stock |
| P-888171331 | 98 | As is | by synthesis |
| P-491319032 | 95 | As is | by synthesis |
| P-869175112 | 95 | As is | by synthesis |
| P-904255788 | 95 | As is | unavailable |
| P-888664879 | 95 | As is | 200 mg |
| P-611508191 | 90 | As is | in stock |
| P-893949653 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 342.443 |
| logP | 3.7123 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 121.31 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 93.6607 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |

