Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1192749413
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 | 16 USD | 98 | 15 working days | Get Quote |
| 5 mg | 46 USD | 98 | 15 working days | Get Quote |
| 10 mg | 75 USD | 95 | 22 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-1192749413.sdf |
| SMILES | MCULE-1192749413.smiles |
| Standard InChI | MCULE-1192749413.inchi |
| InChIKey | MCULE-1192749413.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867620131 | 95 | As is | in stock |
| P-875782077 | N/A | As is | in stock |
| P-869227530 | 95 | As is | in stock |
| P-903127565 | 98 | As is | 500 mg |
| P-1264055424 | 95 | As is | in stock |
| P-610963127 | 90 | As is | 26.645 g |
| P-606869680 | N/A | As is | in stock |
| P-489164367 | 97 | As is | in stock |
| P-596964282 | 99 | As is | 75 mg |
| P-580195711 | 98 | As is | in stock |
| P-864143676 | 95 | As is | in stock |
| P-896540412 | 98 | As is | in stock |
| P-580718953 | 98 | As is | 151 mg |
| P-901424602 | 95 | As is | by synthesis |
| P-851260966 | 95 | As is | by synthesis |
| P-860799156 | 98 | As is | in stock |
| P-861361811 | 95 | As is | by synthesis |
| P-579480536 | 95 | As is | in stock |
| P-505549972 | 95 | As is | in stock |
| P-596561766 | 97 | As is | 10 mg |
| P-854712758 | 95 | As is | in stock |
| P-474022029 | 95 | As is | in stock |
| P-608272320 | 98 | As is | in stock |
| P-889877534 | 95 | As is | by synthesis |
| P-579712908 | N/A | As is | in stock |
| P-851349403 | 99 | As is | 530 mg |
| P-869162464 | 95 | As is | by synthesis |
| P-892297789 | 95 | As is | unavailable |
| P-888657828 | 95 | As is | 49 mg |
| P-906798433 | 99 | As is | by synthesis |
| P-886927767 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 413.471 |
| logP | 4.2859 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 95.06 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 119.4286 |
| Atoms | 54 |
| Rings | 5 |
| Heavy atoms | 31 |
| Hydrogen atoms | 23 |
| 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 |
