MCULE-9016997467
- 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 | 43 USD | 95 | 7 working days | Get Quote |
| 5 mg | 88 USD | 98 | 22 working days | Get Quote |
| 10 mg | 88 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-9016997467.sdf |
| SMILES | MCULE-9016997467.smiles |
| Standard InChI | MCULE-9016997467.inchi |
| InChIKey | MCULE-9016997467.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867625619 | 98 | As is | in stock |
| P-875788550 | 98 | As is | in stock |
| P-869304772 | 95 | As is | by resynthesis (? - ? days) |
| P-903138617 | 98 | As is | 1.25 g |
| P-1264059639 | 99 | As is | in stock |
| P-610973988 | 90 | As is | 5.371 g |
| P-1270328676 | 98 | As is | in stock |
| P-903001643 | N/A | As is | in stock |
| P-895099480 | 95 | As is | 250 mg |
| P-1273257717 | 95 | As is | by resynthesis (? - ? days) |
| P-904962790 | 95 | As is | in stock |
| P-1267092548 | 98 | As is | by synthesis |
| P-868544390 | 99 | As is | in stock |
| P-902967858 | 98 | As is | 2.531 g |
| P-1275107516 | N/A | As is | by resynthesis (? - ? days) |
| P-901424607 | 95 | As is | by synthesis |
| P-579722496 | 95 | As is | 3.89 g |
| P-580452163 | 99 | As is | in stock |
| P-887198823 | 95 | As is | by synthesis |
| P-900264546 | 95 | As is | in stock |
| P-855965867 | 95 | As is | 10 mg |
| P-1272598015 | 95 | As is | 50 mg |
| P-852523570 | 95 | As is | by synthesis |
| P-872528928 | 95 | As is | in stock |
| P-904369298 | 95 | As is | in stock |
| P-892293808 | 95 | As is | unavailable |
| P-869158068 | 95 | As is | 55 mg |
| P-888653964 | 95 | As is | 55 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 348.247 |
| logP | 4.7043 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 80.33 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 86.4167 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 15 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

