Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1686777889
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 | 98 | 16 working days | Get Quote |
| 5 mg | 28 USD | 98 | 16 working days | Get Quote |
| 10 mg | 52 USD | 98 | 16 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-5329313088
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1686777889.sdf |
| SMILES | MCULE-1686777889.smiles |
| Standard InChI | MCULE-1686777889.inchi |
| InChIKey | MCULE-1686777889.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886800481 | 95 | As is | in stock |
| P-890081631 | 95 | As is | by synthesis |
| P-1264797445 | 95 | As is | 10 g |
| P-869245926 | 95 | Main component | by resynthesis (? - ? days) |
| P-1264058825 | 98 | Main component | in stock |
| P-610984583 | 90 | Main component | 159.179 g |
| P-1275132309 | 95 | Main component | in stock |
| P-864154052 | 95 | Main component | in stock |
| P-893248220 | 95 | Main component | by synthesis |
| P-851291206 | 95 | Main component | by synthesis |
| P-675213486 | 95 | Main component | in stock |
| P-500156197 | 96 | Main component | in stock |
| P-854719551 | 95 | Main component | in stock |
| P-878645777 | 98 | Main component | in stock |
| P-491119751 | 95 | Main component | by synthesis |
| P-892286952 | 95 | Main component | unavailable |
| P-869108341 | 95 | Main component | 110 mg |
| P-888627340 | 95 | Main component | 110 mg |
| P-852186122 | 85 | Main component as a main component | by synthesis |
| P-1264909989 | N/A | Main component as a main component | by synthesis |
| P-869339319 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1275268253 | 95 | Main component as a main component | 50 mg |
| P-1275547431 | 90 | Main component as a main component | 1000 mg |
| P-1274620587 | 95 | Main component as a main component | unavailable |
| P-901547283 | 95 | Main component as a main component | by synthesis |
| P-580450530 | 99 | Main component as a main component | in stock |
| P-1273111812 | 95 | Main component as a main component | 100 mg |
| P-854698946 | 95 | Main component as a main component | by synthesis |
| P-854711335 | 95 | Main component as a main component | by synthesis |
| P-674954114 | 95 | Main component as a main component | 449 mg |
| P-674941292 | 90 | Main component as a main component | 449 mg |
| P-869108342 | 95 | Main component as a main component | unavailable |
| P-888627341 | 95 | Main component as a main component | unavailable |
| P-855051041 | 90 | Main component as a main component | in stock |
| P-855065564 | 90 | Main component as a main component | in stock |
| P-855052013 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 280.276 |
| logP | 1.539 |
| H-bond acceptors | 7 |
| H-bond donors | 5 |
| Rotatable bonds | 3 |
| PSA | 136.64 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 73.0397 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
