MCULE-9086064626
- 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 | 97 | 10 working days | Get Quote |
| 5 mg | 81 USD | 95 | 20 working days | Get Quote |
| 10 mg | 81 USD | 95 | 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-9086064626.sdf |
| SMILES | MCULE-9086064626.smiles |
| Standard InChI | MCULE-9086064626.inchi |
| InChIKey | MCULE-9086064626.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875772853 | N/A | As is | in stock |
| P-595215927 | 98 | As is | in stock |
| P-903113223 | 95 | As is | 10 g |
| P-893556650 | 90 | As is | 32.656 g |
| P-851519027 | N/A | As is | by synthesis |
| P-597003151 | 95 | As is | 10 g |
| P-579787541 | 95 | As is | by resynthesis (? - ? days) |
| P-864137819 | 95 | As is | in stock |
| P-590878478 | 95 | As is | by synthesis |
| P-861373960 | 95 | As is | by synthesis |
| P-862090416 | 95 | As is | 12.405 g |
| P-675213600 | 95 | As is | in stock |
| P-18809462 | 97 | As is | 33.598 g |
| P-454401324 | 97 | As is | 33.598 g |
| P-852415055 | N/A | As is | in stock |
| P-895249410 | 95 | As is | by synthesis |
| P-888897214 | N/A | As is | in stock |
| P-596784842 | 95 | As is | 14.73 g |
| P-502395226 | 90 | As is | in stock |
| P-611441202 | 90 | As is | in stock |
| P-615414498 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.188 |
| logP | 1.394 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 59.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 47.0737 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| 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 |

