Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8892205528
Compound
Show structures
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-1296500148
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8892205528.sdf |
| SMILES | MCULE-8892205528.smiles |
| Standard InChI | MCULE-8892205528.inchi |
| InChIKey | MCULE-8892205528.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-619331844 | 90 | As is | 2.158 g |
| P-13240019 | 92 | As is | 64 mg |
| P-903769734 | 94 | As is | by resynthesis (? - ? days) |
| P-617771544 | 90 | As is | 22 mg |
| P-895203480 | 95 | Main component | by synthesis |
| P-892254729 | 95 | Main component | unavailable |
| P-892339335 | 95 | Main component | unavailable |
| P-886754595 | 99 | Main component as a main component | in stock |
| P-890186918 | 99 | Main component as a main component | in stock |
| P-902999779 | 99 | Main component as a main component | by resynthesis (? - ? days) |
| P-903350574 | 99 | Main component as a main component | 25 mg |
| P-1270385068 | 99 | Main component as a main component | in stock |
| P-892510442 | N/A | Main component as a main component | in stock |
| P-895108880 | 99 | Main component as a main component | 500 mg |
| P-1273376491 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1275488719 | 95 | Main component as a main component | in stock |
| P-892414355 | 99 | Main component as a main component | 425 mg |
| P-1263257830 | 95 | Main component as a main component | by synthesis |
| P-854088337 | 92 | Main component as a main component | 64 mg |
| P-895186090 | 95 | Main component as a main component | in stock |
| P-1274334846 | 95 | Main component as a main component | unavailable |
| P-892271040 | 95 | Main component as a main component | 195 mg |
| P-892348881 | 95 | Main component as a main component | 195 mg |
| P-1271663064 | 99 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 366.349 |
| logP | -0.5282 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 58.04 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 102.4377 |
| Atoms | 47 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 25 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| 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 |
