MCULE-8837392966
- 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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 27 USD | 95 | 7 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-8837392966.sdf |
| SMILES | MCULE-8837392966.smiles |
| Standard InChI | MCULE-8837392966.inchi |
| InChIKey | MCULE-8837392966.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867589070 | 98 | As is | in stock |
| P-875748104 | N/A | As is | in stock |
| P-613847781 | 95 | As is | in stock |
| P-903079284 | 98 | As is | 2 g |
| P-893606910 | 90 | As is | 16.545 g |
| P-489243695 | 97 | As is | in stock |
| P-596931771 | 98 | As is | 2 g |
| P-872723238 | 98 | As is | in stock |
| P-864152510 | 95 | As is | in stock |
| P-860056256 | 98 | As is | by synthesis |
| P-851268367 | 95 | As is | by synthesis |
| P-860799132 | 98 | As is | in stock |
| P-579479518 | 95 | As is | in stock |
| P-675215947 | 95 | As is | in stock |
| P-596580013 | 95 | As is | 250 mg |
| P-35211700 | 90 | As is | 2.125 kg |
| P-865621246 | 95 | As is | in stock |
| P-584620206 | 95 | As is | in stock |
| P-878641714 | 98 | As is | in stock |
| P-579711284 | N/A | As is | in stock |
| P-869136889 | 95 | As is | by synthesis |
| P-892292337 | 95 | As is | unavailable |
| P-888644966 | 95 | As is | 608 mg |
| P-906829705 | 98 | As is | by synthesis |
| P-575300638 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 365.454 |
| logP | 3.6351 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 89.6 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 111.0207 |
| Atoms | 45 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 19 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |

