Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5559696711-0
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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 48 USD | 95 | 14 working days | Get Quote |
| 10 mg | 48 USD | 95 | 14 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-6604305404-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5559696711-0.sdf |
| SMILES | MCULE-5559696711-0.smiles |
| Standard InChI | MCULE-5559696711-0.inchi |
| InChIKey | MCULE-5559696711-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867668382 | 98 | As is | in stock |
| P-901286071 | 98 | As is | in stock |
| P-904627653 | 95 | As is | by resynthesis (? - ? days) |
| P-851894028 | N/A | As is | by synthesis |
| P-611100588 | 98 | As is | by synthesis |
| P-861373941 | 98 | As is | by synthesis |
| P-575337384 | 95 | As is | in stock |
| P-14043435 | 90 | As is | no data |
| P-855949798 | 95 | As is | 1000 mg |
| P-580482303 | 95 | As is | by synthesis |
| P-852603484 | 95 | As is | by synthesis |
| P-895278121 | 95 | As is | by synthesis |
| P-886648970 | 95 | Main component | in stock |
| P-875832684 | 95 | Main component | in stock |
| P-1264623190 | 95 | Main component | 5 g |
| P-851738264 | N/A | Main component | by synthesis |
| P-489152578 | 97 | Main component | in stock |
| P-494350784 | 95 | Main component | 425 mg |
| P-864162360 | 95 | Main component | in stock |
| P-591131104 | 95 | Main component | by synthesis |
| P-454763479 | 90 | Main component | in stock |
| P-861548428 | 95 | Main component | by synthesis |
| P-34603159 | 90 | Main component | by synthesis |
| P-580782061 | 90 | Main component | by resynthesis (? - ? days) |
| P-580770891 | 90 | Main component | in stock |
| P-580418230 | 95 | Main component | by resynthesis (? - ? days) |
| P-575337308 | 95 | Main component | in stock |
| P-14043152 | 90 | Main component | no data |
| P-454406745 | 95 | Main component | 113 mg |
| P-454328691 | 95 | Main component | 113 mg |
| P-580501707 | 95 | Main component | by synthesis |
| P-852608540 | 95 | Main component | by synthesis |
| P-895254217 | 95 | Main component | by synthesis |
| P-500400226 | 98 | Main component | by synthesis |
| P-491135404 | 95 | Main component | by synthesis |
| P-23845108 | 90 | Main component | in stock |
| P-33469578 | 90 | Main component | in stock |
| P-502347362 | 90 | Main component | in stock |
| P-611562162 | 90 | Main component | in stock |
| P-710803 | 90 | Main component | 19 mg |
| P-893855001 | 95 | Main component | by synthesis |
| P-867734369 | N/A | Main component as a main component | by synthesis |
| P-611138659 | 97 | Main component as a main component | by synthesis |
| P-617653653 | 90 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 173.638 |
| logP | 2.8349 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 25.17 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.6627 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
