MCULE-9535840404-0
- 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 | 71 USD | 98 | 22 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 149 USD | 90 | 17 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-9535840404-0.sdf |
| SMILES | MCULE-9535840404-0.smiles |
| Standard InChI | MCULE-9535840404-0.inchi |
| InChIKey | MCULE-9535840404-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867596851 | 98 | As is | in stock |
| P-875755565 | N/A | As is | in stock |
| P-869301040 | 95 | As is | in stock |
| P-903089833 | 95 | As is | 25 mg |
| P-893605287 | 90 | As is | 36 mg |
| P-893291209 | N/A | As is | in stock |
| P-895095302 | 98 | As is | 1 mg |
| P-872723267 | 98 | As is | in stock |
| P-869420383 | 95 | As is | by synthesis |
| P-868543840 | 99 | As is | in stock |
| P-893279541 | 98 | As is | 116 mg |
| P-22312272 | 90 | As is | 185 mg |
| P-578509804 | 90 | As is | in stock |
| P-1263256865 | 95 | As is | by synthesis |
| P-900267180 | 95 | As is | in stock |
| P-888621198 | 95 | As is | 100 mg |
| P-863734283 | 95 | As is | in stock |
| P-888173096 | 98 | As is | by synthesis |
| P-869110879 | 95 | As is | by synthesis |
| P-904244579 | 95 | As is | unavailable |
| P-888629002 | 95 | As is | 75 mg |
| P-907119328 | 94 | As is | by resynthesis (? - ? days) |
| P-611430398 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 447.463 |
| logP | 1.6798 |
| H-bond acceptors | 10 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 131.56 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 115.991 |
| Atoms | 52 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 21 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| 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 |

