MCULE-9731772039
- 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 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-9731772039.sdf |
| SMILES | MCULE-9731772039.smiles |
| Standard InChI | MCULE-9731772039.inchi |
| InChIKey | MCULE-9731772039.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867569503 | 98 | As is | in stock |
| P-875729393 | N/A | As is | in stock |
| P-869194710 | 95 | As is | in stock |
| P-505388377 | 97 | As is | in stock |
| P-505389196 | 98 | As is | in stock |
| P-903058588 | 98 | As is | 1.5 kg |
| P-1264059554 | 95 | As is | in stock |
| P-1264048363 | 95 | As is | in stock |
| P-580232779 | 95 | As is | by synthesis |
| P-606919083 | N/A | As is | in stock |
| P-489135431 | 97 | As is | in stock |
| P-596948858 | 98 | As is | 2 kg |
| P-580192651 | 98 | As is | in stock |
| P-864152645 | 95 | As is | in stock |
| P-893229855 | 95 | As is | in stock |
| P-505573416 | 98 | As is | in stock |
| P-851268303 | 95 | As is | by synthesis |
| P-868577280 | 98 | As is | in stock |
| P-579476629 | 95 | As is | in stock |
| P-608220344 | 98 | As is | in stock |
| P-870662113 | 98 | As is | in stock |
| P-505494893 | 95 | As is | in stock |
| P-524443041 | 97 | As is | 100 mg |
| P-31194641 | 90 | As is | 2 g |
| P-856045537 | 90 | As is | 2 g |
| P-854717423 | 95 | As is | in stock |
| P-901019719 | 95 | As is | in stock |
| P-474023398 | 95 | As is | in stock |
| P-608275322 | 98 | As is | in stock |
| P-500375614 | 98 | As is | by synthesis |
| P-1263956028 | 90 | As is | in stock |
| P-885558632 | 95 | As is | by synthesis |
| P-19539296 | 90 | As is | in stock |
| P-579710972 | N/A | As is | in stock |
| P-869110416 | 95 | As is | by synthesis |
| P-892287561 | 95 | As is | 298 mg |
| P-888628698 | 95 | As is | 298 mg |
| P-502366254 | 90 | As is | in stock |
| P-33162069 | 90 | As is | 28 mg |
| P-611481096 | 90 | As is | in stock |
| P-611477140 | 90 | As is | in stock |
| P-1284415 | 90 | As is | 4.018 g |
| P-666982583 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 299.350 |
| logP | 3.9654 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 92.31 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 82.4454 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 13 |
| 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 |

