Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7221241811
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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.
-
MCULE-4912229237
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7221241811.sdf |
| SMILES | MCULE-7221241811.smiles |
| Standard InChI | MCULE-7221241811.inchi |
| InChIKey | MCULE-7221241811.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867606059 | 98 | As is | in stock |
| P-505353927 | 99 | As is | in stock |
| P-881671750 | 95 | As is | in stock |
| P-870135480 | N/A | As is | by synthesis |
| P-596960939 | 98 | As is | 150 g |
| P-580193656 | 98 | As is | in stock |
| P-864164667 | 95 | As is | in stock |
| P-893225675 | 95 | As is | in stock |
| P-870652294 | N/A | As is | in stock |
| P-505528554 | 95 | As is | in stock |
| P-488556056 | 92 | As is | in stock |
| P-524443322 | 97 | As is | 66 mg |
| P-885534970 | 95 | As is | by synthesis |
| P-519995301 | 90 | As is | in stock |
| P-579710427 | N/A | As is | in stock |
| P-869107555 | 95 | As is | by synthesis |
| P-892286166 | 95 | As is | 900 mg |
| P-888626591 | 95 | As is | 900 mg |
| P-1654017 | 90 | As is | 121 mg |
| P-867675689 | 98 | As a main component | in stock |
| P-505391914 | 95 | As a main component | in stock |
| P-893617786 | 90 | As a main component | 17.834 g |
| P-851799293 | N/A | As a main component | by synthesis |
| P-596986053 | 98 | As a main component | 14 g |
| P-580195896 | 98 | As a main component | in stock |
| P-864252797 | 95 | As a main component | by synthesis |
| P-893225377 | 95 | As a main component | in stock |
| P-870652295 | N/A | As a main component | in stock |
| P-505528555 | 95 | As a main component | in stock |
| P-855913464 | 97 | As a main component | 1000 mg |
| P-31194497 | 90 | As a main component | 500 mg |
| P-617402860 | N/A | As a main component | in stock |
| P-869107556 | 95 | As a main component | by synthesis |
| P-892286167 | 95 | As a main component | unavailable |
| P-888626592 | 95 | As a main component | 41 mg |
| P-906868275 | 98 | As a main component | by synthesis |
| P-611465094 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 315.860 |
| logP | 5.188 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 28.54 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 92.277 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
