Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8855086844
Compound
Show structure
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 | 28 USD | 95 | 18 working days | Get Quote |
| 5 mg | 28 USD | 95 | 18 working days | Get Quote |
| 10 mg | 52 USD | 95 | 18 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-2504252505
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8855086844.sdf |
| SMILES | MCULE-8855086844.smiles |
| Standard InChI | MCULE-8855086844.inchi |
| InChIKey | MCULE-8855086844.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-868508325 | 95 | As is | in stock |
| P-867648730 | 95 | Main component | in stock |
| P-869193285 | 95 | Main component | in stock |
| P-505399677 | 98 | Main component | in stock |
| P-610975048 | 90 | Main component | 44.658 g |
| P-606854872 | N/A | Main component | in stock |
| P-596970507 | 98 | Main component | 1.25 g |
| P-580193103 | 98 | Main component | in stock |
| P-864125667 | 95 | Main component | in stock |
| P-868544259 | 99 | Main component | in stock |
| P-901462687 | 95 | Main component | by synthesis |
| P-901548636 | 95 | Main component | by synthesis |
| P-860797640 | 98 | Main component | in stock |
| P-675215684 | 95 | Main component | in stock |
| P-524169157 | 98 | Main component | 100 mg |
| P-500410979 | 98 | Main component | by synthesis |
| P-889877726 | 95 | Main component | by synthesis |
| P-589631369 | N/A | Main component | in stock |
| P-579710239 | N/A | Main component | in stock |
| P-869123742 | 95 | Main component | by synthesis |
| P-892290165 | 95 | Main component | unavailable |
| P-888637731 | 95 | Main component | 227 mg |
| P-611446511 | 90 | Main component | in stock |
| P-480840750 | 95 | Main component | in stock |
| P-861287000 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 394.937 |
| logP | 4.4322 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 70.39 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 112.9072 |
| Atoms | 58 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 31 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
