MCULE-4224996633
- 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 | 23 USD | 98 | 16 working days | Get Quote |
| 5 mg | 36 USD | 98 | 16 working days | Get Quote |
| 10 mg | 51 USD | N/A | 9 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-4224996633.sdf |
| SMILES | MCULE-4224996633.smiles |
| Standard InChI | MCULE-4224996633.inchi |
| InChIKey | MCULE-4224996633.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867678683 | 99 | As is | in stock |
| P-875855994 | N/A | As is | in stock |
| P-869252729 | 95 | As is | in stock |
| P-903302527 | 98 | As is | 200 mg |
| P-1264053649 | 95 | As is | in stock |
| P-610989449 | 90 | As is | 3.7 g |
| P-606933616 | N/A | As is | in stock |
| P-900250280 | 98 | As is | 700 mg |
| P-864160715 | 95 | As is | in stock |
| P-580732467 | 99 | As is | 1.531 g |
| P-901433135 | 95 | As is | by synthesis |
| P-851312911 | 95 | As is | by synthesis |
| P-861286245 | 98 | As is | in stock |
| P-893619206 | 97 | As is | in stock |
| P-854621067 | 98 | As is | in stock |
| P-675215414 | 95 | As is | in stock |
| P-855927741 | 97 | As is | 1000 mg |
| P-584620548 | 95 | As is | in stock |
| P-608277857 | 98 | As is | in stock |
| P-889883890 | 95 | As is | by synthesis |
| P-617404354 | N/A | As is | in stock |
| P-594275697 | 95 | As is | by synthesis |
| P-892298646 | 95 | As is | unavailable |
| P-888658269 | 95 | As is | 68 mg |
| P-611530335 | 90 | As is | in stock |
| P-893967093 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 434.919 |
| logP | 5.6295 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 125.88 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 110.3548 |
| Atoms | 43 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 15 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

