MCULE-8108126856
- 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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-8108126856.sdf |
| SMILES | MCULE-8108126856.smiles |
| Standard InChI | MCULE-8108126856.inchi |
| InChIKey | MCULE-8108126856.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852120158 | 95 | As is | by synthesis |
| P-901283701 | N/A | As is | in stock |
| P-904572375 | 95 | As is | in stock |
| P-851722097 | N/A | As is | by synthesis |
| P-596398342 | 90 | As is | 58 mg |
| P-596514171 | 90 | As is | 58 mg |
| P-901351860 | 95 | As is | by synthesis |
| P-591045017 | 95 | As is | by synthesis |
| P-504693971 | 85 | As is | 5 mg |
| P-454678634 | 90 | As is | in stock |
| P-5048608 | 90 | As is | 47 mg |
| P-436441003 | 90 | As is | 10 g |
| P-198592 | 90 | As is | 161 mg |
| P-436456195 | 95 | As is | 5 g |
| P-903005254 | 95 | As is | in stock |
| P-34797164 | 90 | As is | by synthesis |
| P-855972771 | 95 | As is | 5 g |
| P-852410046 | N/A | As is | in stock |
| P-869024911 | 95 | As is | by synthesis |
| P-23968040 | 90 | As is | in stock |
| P-33483188 | 90 | As is | in stock |
| P-502335932 | 90 | As is | in stock |
| P-903652418 | 94 | As is | by resynthesis (? - ? days) |
| P-875277849 | 90 | As is | 5 mg |
| P-855303850 | 90 | As is | in stock |
| P-1577813 | 90 | As is | 124 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 337.253 |
| logP | 3.1219 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 76.72 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 76.8763 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 10 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |

