Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8854594914-0
Structure
Show compound
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-2771522204-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8854594914-0.sdf |
| SMILES | MCULE-8854594914-0.smiles |
| Standard InChI | MCULE-8854594914-0.inchi |
| InChIKey | MCULE-8854594914-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901230673 | N/A | As is | by synthesis |
| P-904028218 | N/A | As is | by synthesis |
| P-895107378 | 97 | As is | 2 g |
| P-864109413 | 95 | As is | in stock |
| P-905536853 | 95 | As is | by synthesis |
| P-861487284 | 95 | As is | by synthesis |
| P-563401509 | 95 | As is | 10 g |
| P-895694159 | 95 | As is | by synthesis |
| P-867536484 | 98 | Main component | in stock |
| P-875691573 | N/A | Main component | in stock |
| P-869183764 | 95 | Main component | in stock |
| P-505348612 | 97 | Main component | in stock |
| P-903012850 | 98 | Main component | 800 g |
| P-905479398 | 97 | Main component | 100 g |
| P-893503648 | 90 | Main component | 647.46 g |
| P-901166577 | 98 | Main component | in stock |
| P-580240389 | 95 | Main component | by synthesis |
| P-606895371 | N/A | Main component | in stock |
| P-489116846 | 97 | Main component | in stock |
| P-596936472 | 98 | Main component | 200 g |
| P-494350659 | 95 | Main component | 9 g |
| P-596424063 | 90 | Main component | 1000 mg |
| P-596493799 | 90 | Main component | 1000 mg |
| P-864092330 | 97 | Main component | in stock |
| P-580715949 | 98 | Main component | 17.5 g |
| P-619933227 | 90 | Main component | by synthesis |
| P-449700149 | 90 | Main component | 207 mg |
| P-436462814 | 95 | Main component | in stock |
| P-578527483 | 90 | Main component | in stock |
| P-851277252 | 95 | Main component | by synthesis |
| P-868578648 | 98 | Main component | in stock |
| P-905331360 | 95 | Main component | 1000 mg |
| P-861950165 | 95 | Main component | 345.45 g |
| P-590340360 | 90 | Main component | 8 g |
| P-890217927 | 90 | Main component | 8 g |
| P-505534385 | 95 | Main component | in stock |
| P-502478056 | 95 | Main component | by synthesis |
| P-488546161 | 90 | Main component | in stock |
| P-13260945 | 95 | Main component | 300 mg |
| P-18801501 | 95 | Main component | 29.533 g |
| P-454409937 | 95 | Main component | 100 g |
| P-615645418 | 95 | Main component | in stock |
| P-905476680 | 95 | Main component | by resynthesis (? - ? days) |
| P-580502458 | N/A | Main component | by synthesis |
| P-852382882 | N/A | Main component | in stock |
| P-854732376 | 95 | Main component | in stock |
| P-578152820 | 90 | Main component | 1.5 g |
| P-617703848 | 95 | Main component | 1.5 g |
| P-454366037 | 92 | Main component | in stock |
| P-13600882 | 92 | Main component | 300 mg |
| P-519829198 | 90 | Main component | in stock |
| P-596767865 | 97 | Main component | 282.5 g |
| P-33464497 | 90 | Main component | in stock |
| P-502331406 | 90 | Main component | in stock |
| P-903639375 | 94 | Main component | by resynthesis (? - ? days) |
| P-906758225 | 98 | Main component | by synthesis |
| P-3239517 | 90 | Main component | 584 mg |
| P-893639549 | 95 | Main component | by synthesis |
| P-892973581 | N/A | Main component as a main component | by synthesis |
| P-867536187 | 95 | Main component as a main component | in stock |
| P-875690746 | N/A | Main component as a main component | in stock |
| P-891656780 | N/A | Main component as a main component | by synthesis |
| P-864218121 | 95 | Main component as a main component | by synthesis |
| P-901886839 | 95 | Main component as a main component | by synthesis |
| P-901557934 | 95 | Main component as a main component | by synthesis |
| P-868647888 | 95 | Main component as a main component | in stock |
| P-580763343 | 90 | Main component as a main component | in stock |
| P-34654640 | 90 | Main component as a main component | by synthesis |
| P-580784252 | 90 | Main component as a main component | by resynthesis (? - ? days) |
| P-580771860 | 90 | Main component as a main component | in stock |
| P-615645410 | 95 | Main component as a main component | in stock |
| P-580474087 | 95 | Main component as a main component | by synthesis |
| P-852602533 | N/A | Main component as a main component | in stock |
| P-854774957 | 95 | Main component as a main component | by synthesis |
| P-906819338 | 95 | Main component as a main component | by synthesis |
| P-615401985 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 241.759 |
| logP | 2.7968 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 32.5 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 78.8784 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
