Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5048864541-0
Structure
Show compound
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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 12 USD | 98 | 22 working days | Get Quote |
| 10 mg | 15 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-5048864541-0.sdf |
| SMILES | MCULE-5048864541-0.smiles |
| Standard InChI | MCULE-5048864541-0.inchi |
| InChIKey | MCULE-5048864541-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659062 | 98 | As is | in stock |
| P-875827348 | 98 | As is | in stock |
| P-1275175500 | 98 | As is | in stock |
| P-1275155419 | 95 | As is | in stock |
| P-872723102 | 98 | As is | in stock |
| P-1264046692 | 99 | As is | in stock |
| P-905485426 | 95 | As is | 1000 mg |
| P-610959380 | 90 | As is | 32.013 g |
| P-1270311788 | 98 | As is | in stock |
| P-1275127661 | 95 | As is | in stock |
| P-851950606 | N/A | As is | in stock |
| P-489189139 | 97 | As is | in stock |
| P-596971727 | 98 | As is | 10 g |
| P-1273451735 | 95 | As is | by resynthesis (? - ? days) |
| P-895927375 | 95 | As is | by resynthesis (? - ? days) |
| P-864125564 | 95 | As is | in stock |
| P-900154989 | 95 | As is | in stock |
| P-617431474 | 98 | As is | 400 mg |
| P-871220218 | N/A | As is | by resynthesis (? - ? days) |
| P-901554022 | 95 | As is | by synthesis |
| P-893227650 | 95 | As is | in stock |
| P-851268258 | 95 | As is | by synthesis |
| P-872785260 | 95 | As is | by synthesis |
| P-860799468 | 98 | As is | in stock |
| P-868609273 | 97 | As is | in stock |
| P-579476596 | 95 | As is | in stock |
| P-889435111 | 98 | As is | 30 g |
| P-505539952 | 95 | As is | in stock |
| P-890850986 | 90 | As is | in stock |
| P-524162524 | 95 | As is | 5 mg |
| P-856078460 | 98 | As is | in stock |
| P-854714586 | 95 | As is | in stock |
| P-1263954554 | 95 | As is | in stock |
| P-608273998 | 98 | As is | in stock |
| P-881187622 | 90 | As is | 50 mg |
| P-1263958192 | 90 | As is | in stock |
| P-889869399 | 95 | As is | by synthesis |
| P-579710733 | 98 | As is | in stock |
| P-892297025 | 95 | As is | unavailable |
| P-869162050 | 95 | As is | 140 mg |
| P-888657443 | 95 | As is | 140 mg |
| P-596714762 | 90 | As is | 13 mg |
| P-1273037881 | 94 | As is | by resynthesis (? - ? days) |
| P-906781828 | 98 | As is | by synthesis |
| P-854972655 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 471.511 |
| logP | 3.859 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 150.22 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 134.3481 |
| Atoms | 60 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 25 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
