MCULE-9132650127
- 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 | 72 USD | 95 | 7 working days | Get Quote |
| 5 mg | 151 USD | 95 | 7 working days | Get Quote |
| 10 mg | 242 USD | 99 | 15 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.
-
1
MCULE-9750353524
- Component type: Main
-
1
MCULE-3643444072
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9132650127.sdf |
| SMILES | MCULE-9132650127.smiles |
| Standard InChI | MCULE-9132650127.inchi |
| InChIKey | MCULE-9132650127.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892889926 | 95 | Main component | in stock |
| P-901244452 | N/A | Main component | by synthesis |
| P-902996801 | 99 | Main component | in stock |
| P-903392158 | 95 | Main component | 500 mg |
| P-893604999 | 90 | Main component | 1000 mg |
| P-893291450 | N/A | Main component | in stock |
| P-895113021 | 99 | Main component | unavailable |
| P-901342966 | 95 | Main component | by synthesis |
| P-893279882 | 99 | Main component | 1.002 g |
| P-901513361 | 95 | Main component | by synthesis |
| P-1263260325 | 95 | Main component | by synthesis |
| P-900264881 | 95 | Main component | in stock |
| P-888621039 | 95 | Main component | 100 mg |
| P-888172941 | 98 | Main component | by synthesis |
| P-869109233 | 95 | Main component | by synthesis |
| P-892287179 | 95 | Main component | unavailable |
| P-888627927 | 95 | Main component | 2.616 g |
| P-906884019 | 98 | Main component | by synthesis |
| P-869124120 | 95 | Main component as a main component | by synthesis |
| P-869124122 | 95 | Main component as a main component | by synthesis |
| P-869124125 | 95 | Main component as a main component | by synthesis |
| P-888638013 | 95 | Main component as a main component | unavailable |
| P-888638011 | 95 | Main component as a main component | unavailable |
| P-888638012 | 95 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 666.980 |
| logP | 4.8481 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 12 |
| PSA | 184.74 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 157.2639 |
| Atoms | 72 |
| Rings | 4 |
| Heavy atoms | 46 |
| Hydrogen atoms | 26 |
| Heteroatoms | 16 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |

