Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8166256004
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 | 79 USD | 90 | 22 working days | Get Quote |
| 5 mg | 106 USD | 90 | 26 working days | Get Quote |
| 10 mg | 137 USD | 90 | 27 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.
| Name | File |
|---|---|
| SDF | MCULE-8166256004.sdf |
| SMILES | MCULE-8166256004.smiles |
| Standard InChI | MCULE-8166256004.inchi |
| InChIKey | MCULE-8166256004.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867694064 | 95 | As is | in stock |
| P-875873972 | N/A | As is | in stock |
| P-874640478 | N/A | As is | in stock |
| P-903368257 | N/A | As is | 500 mg |
| P-893618023 | 90 | As is | 3.028 g |
| P-899914255 | N/A | As is | by synthesis |
| P-895110726 | 98 | As is | 500 mg |
| P-901329307 | 98 | As is | in stock |
| P-889521982 | 95 | As is | by synthesis |
| P-901863139 | 95 | As is | by synthesis |
| P-901535277 | 95 | As is | by synthesis |
| P-3974624 | 90 | As is | 100 mg |
| P-612675783 | 90 | As is | in stock |
| P-887187960 | 95 | As is | by synthesis |
| P-873242585 | 97 | As is | 10 mg |
| P-596587767 | 90 | As is | 5 g |
| P-854711763 | 95 | As is | in stock |
| P-888173288 | 98 | As is | by synthesis |
| P-856065326 | 95 | As is | in stock |
| P-19518666 | 90 | As is | in stock |
| P-869116412 | 95 | As is | by synthesis |
| P-892288289 | 95 | As is | 498 mg |
| P-888631967 | 95 | As is | 498 mg |
| P-907158348 | 94 | As is | by resynthesis (? - ? days) |
| P-893665762 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.234 |
| logP | 0.7247 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 87.57 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 65.5158 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
