Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7826660553
Compound
Show structures
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 16 USD | 98 | 24 working days | Get Quote |
| 5 mg | 16 USD | 98 | 24 working days | Get Quote |
| 10 mg | 16 USD | 98 | 24 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3234195945
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7826660553.sdf |
| SMILES | MCULE-7826660553.smiles |
| Standard InChI | MCULE-7826660553.inchi |
| InChIKey | MCULE-7826660553.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-617323346 | 90 | As is | in stock |
| P-903619682 | 94 | As is | by resynthesis (? - ? days) |
| P-852175873 | N/A | Main component | by synthesis |
| P-901221672 | N/A | Main component | by synthesis |
| P-869182425 | 95 | Main component | in stock |
| P-505354077 | 98 | Main component | in stock |
| P-889055366 | 95 | Main component | in stock |
| P-903267625 | N/A | Main component | 50 mg |
| P-851503407 | N/A | Main component | by synthesis |
| P-895104793 | N/A | Main component | unavailable |
| P-860054906 | 95 | Main component | by synthesis |
| P-615689496 | 98 | Main component | by synthesis |
| P-901425022 | 95 | Main component | by synthesis |
| P-500417765 | 98 | Main component | in stock |
| P-870652151 | N/A | Main component | in stock |
| P-870653109 | N/A | Main component | in stock |
| P-870662161 | N/A | Main component | in stock |
| P-890852458 | 90 | Main component | in stock |
| P-856035605 | 90 | Main component | unavailable |
| P-895190704 | 95 | Main component | by synthesis |
| P-881190657 | 90 | Main component | 45 mg |
| P-13805131 | 92 | Main component | 300 mg |
| P-500410555 | N/A | Main component | by synthesis |
| P-885534877 | 95 | Main component | by synthesis |
| P-888690770 | 90 | Main component | in stock |
| P-869143928 | 95 | Main component | by synthesis |
| P-888647891 | 95 | Main component | unavailable |
| P-33162673 | 90 | Main component | 15 mg |
| P-611471617 | 90 | Main component | in stock |
| P-611497444 | 90 | Main component | in stock |
| P-864195775 | 95 | Main component as a main component | in stock |
| P-524166228 | 98 | Main component as a main component | 1000 mg |
| P-608084233 | 99 | Main component as a main component | unavailable |
| P-888172282 | 98 | Main component as a main component | by synthesis |
| P-611497440 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 476.421 |
| logP | 0.487 |
| H-bond acceptors | 13 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 213.37 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 116.4563 |
| Atoms | 55 |
| Rings | 3 |
| Heavy atoms | 34 |
| Hydrogen atoms | 21 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
