MCULE-3957251462
- 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 | 44 USD | 95 | 7 working days | Get Quote |
| 5 mg | 99 USD | 95 | 7 working days | Get Quote |
| 10 mg | 148 USD | 95 | 7 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.
-
1
MCULE-2527284314
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3957251462.sdf |
| SMILES | MCULE-3957251462.smiles |
| Standard InChI | MCULE-3957251462.inchi |
| InChIKey | MCULE-3957251462.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-595216681 | 95 | As is | by resynthesis (? - ? days) |
| P-1264055119 | 99 | As is | in stock |
| P-893604921 | 90 | As is | 10.024 g |
| P-1270320627 | 99 | As is | in stock |
| P-888934575 | N/A | As is | in stock |
| P-1271950491 | 99 | As is | 25 mg |
| P-1273268799 | 95 | As is | by resynthesis (? - ? days) |
| P-889777641 | 95 | As is | in stock |
| P-890244947 | 99 | As is | 41 mg |
| P-887187505 | 95 | As is | by synthesis |
| P-579480796 | 95 | As is | in stock |
| P-873246290 | 97 | As is | 5 mg |
| P-854717784 | 95 | As is | in stock |
| P-878645013 | 98 | As is | in stock |
| P-892287014 | 95 | As is | unavailable |
| P-869108568 | 95 | As is | 106 mg |
| P-888627502 | 95 | As is | 106 mg |
| P-906837918 | 99 | As is | by synthesis |
| P-1271671972 | 99 | As is | in stock |
| P-867631578 | N/A | Main component | in stock |
| P-875795726 | N/A | Main component | in stock |
| P-869328904 | 95 | Main component | by resynthesis (? - ? days) |
| P-893457562 | 90 | Main component | 1.1 g |
| P-904032341 | N/A | Main component | by synthesis |
| P-892190344 | 97 | Main component | 100 mg |
| P-1273260773 | 95 | Main component | by resynthesis (? - ? days) |
| P-905466927 | 95 | Main component | in stock |
| P-905602700 | 97 | Main component | by synthesis |
| P-901470875 | 95 | Main component | by synthesis |
| P-1273109635 | 97 | Main component | 100 mg |
| P-895202152 | 95 | Main component | by synthesis |
| P-871064978 | 95 | Main component | in stock |
| P-892291247 | 95 | Main component | unavailable |
| P-892228993 | 95 | Main component | 725 mg |
| P-892322310 | 95 | Main component | 100 mg |
| P-906888134 | 97 | Main component | by synthesis |
| P-855065642 | 90 | Main component | in stock |
| P-1271622857 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 400.900 |
| logP | 4.87588 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 104.19 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 115.3761 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 25 |
| Heteroatoms | 7 |
| 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 |

