Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8855716093
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 | 14 USD | 95 | 20 working days | Get Quote |
| 5 mg | 14 USD | 95 | 20 working days | Get Quote |
| 10 mg | 14 USD | 95 | 20 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-1023318939
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8855716093.sdf |
| SMILES | MCULE-8855716093.smiles |
| Standard InChI | MCULE-8855716093.inchi |
| InChIKey | MCULE-8855716093.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886829031 | 95 | As is | in stock |
| P-890103529 | N/A | As is | by synthesis |
| P-903439431 | 95 | As is | 1000 mg |
| P-1263095175 | N/A | As is | by synthesis |
| P-889809523 | 95 | As is | by synthesis |
| P-905566972 | 95 | As is | by synthesis |
| P-893788462 | 95 | As is | by synthesis |
| P-867621672 | 95 | Main component | in stock |
| P-875783428 | N/A | Main component | in stock |
| P-869366138 | 95 | Main component | in stock |
| P-903130974 | 98 | Main component | 20 g |
| P-893550091 | 90 | Main component | 35.685 g |
| P-580254840 | 95 | Main component | by synthesis |
| P-606916716 | N/A | Main component | in stock |
| P-489192490 | 97 | Main component | in stock |
| P-851151483 | 95 | Main component | 10 g |
| P-895946885 | 95 | Main component | by resynthesis (? - ? days) |
| P-864171261 | 95 | Main component | in stock |
| P-580706358 | 95 | Main component | 1.35 g |
| P-868568801 | 98 | Main component | in stock |
| P-862090340 | 95 | Main component | 24.015 g |
| P-590336538 | 90 | Main component | 1000 mg |
| P-890214114 | 90 | Main component | in stock |
| P-502573950 | 95 | Main component | by synthesis |
| P-502917644 | 90 | Main component | in stock |
| P-900955361 | 95 | Main component | in stock |
| P-855911784 | 95 | Main component | 1000 mg |
| P-579625244 | 95 | Main component | unavailable |
| P-613279483 | 95 | Main component | by synthesis |
| P-854758102 | 95 | Main component | in stock |
| P-888885468 | N/A | Main component | in stock |
| P-889862716 | 95 | Main component | by synthesis |
| P-23349215 | 90 | Main component | in stock |
| P-502373064 | 90 | Main component | in stock |
| P-906783546 | 95 | Main component | by synthesis |
| P-611559238 | 90 | Main component | in stock |
| P-893938980 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 196.075 |
| logP | 2.9637 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 50.94 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 51.8771 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
