Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4255483941
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 98 | 22 working days | Get Quote |
| 10 mg | 7 USD | 98 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-4255483941.sdf |
| SMILES | MCULE-4255483941.smiles |
| Standard InChI | MCULE-4255483941.inchi |
| InChIKey | MCULE-4255483941.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867535046 | 98 | As is | in stock |
| P-875689851 | 98 | As is | in stock |
| P-903010891 | 95 | As is | 50 g |
| P-893508541 | 90 | As is | 179.31 g |
| P-1270299378 | 95 | As is | in stock |
| P-606940389 | N/A | As is | in stock |
| P-489226918 | 97 | As is | in stock |
| P-596925836 | 95 | As is | 50 g |
| P-895933589 | 95 | As is | by resynthesis (? - ? days) |
| P-864120777 | 95 | As is | in stock |
| P-617432635 | 95 | As is | 1000 mg |
| P-896632778 | 95 | As is | by synthesis |
| P-868589483 | 98 | As is | in stock |
| P-580339909 | 95 | As is | by resynthesis (? - ? days) |
| P-905349690 | 95 | As is | 4 g |
| P-862052829 | 95 | As is | 105.91 g |
| P-888312581 | N/A | As is | in stock |
| P-579455421 | 95 | As is | 5 g |
| P-1279079850 | N/A | As is | by synthesis |
| P-1279672784 | N/A | As is | in stock |
| P-904721338 | 90 | As is | in stock |
| P-854752020 | 95 | As is | in stock |
| P-888861675 | N/A | As is | in stock |
| P-873278880 | N/A | As is | in stock |
| P-904102527 | 97 | As is | 41.4 g |
| P-611346525 | 90 | As is | in stock |
| P-615648008 | 95 | As is | unavailable |
| P-1279187917 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.061 |
| logP | 0.64748 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 68.03 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.223 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
