MCULE-3160845237-0
- 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 | 6 USD | 97 | 22 working days | Get Quote |
| 5 mg | 18 USD | 98 | 8 working days | Get Quote |
| 10 mg | 18 USD | 98 | 8 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-1316837644-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3160845237-0.sdf |
| SMILES | MCULE-3160845237-0.smiles |
| Standard InChI | MCULE-3160845237-0.inchi |
| InChIKey | MCULE-3160845237-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867643392 | 97 | As is | in stock |
| P-875809584 | N/A | As is | in stock |
| P-590360199 | 97 | As is | in stock |
| P-903169470 | 96 | As is | 3 g |
| P-606842844 | N/A | As is | in stock |
| P-619161757 | 96 | As is | 2 g |
| P-864184419 | 95 | As is | in stock |
| P-590629449 | 99 | As is | 3 mg |
| P-861345031 | 95 | As is | by synthesis |
| P-855927611 | 97 | As is | 1000 mg |
| P-31194664 | 90 | As is | 500 mg |
| P-1263157442 | 95 | As is | by synthesis |
| P-854714009 | 95 | As is | in stock |
| P-608276465 | 98 | As is | in stock |
| P-889881517 | 95 | As is | by synthesis |
| P-869107542 | 95 | As is | by synthesis |
| P-892286150 | 95 | As is | unavailable |
| P-888626577 | 95 | As is | unavailable |
| P-906839484 | 97 | As is | by synthesis |
| P-868516474 | 95 | As is | in stock |
| P-875792917 | N/A | Main component | in stock |
| P-853424838 | 98 | Main component | in stock |
| P-903144314 | 98 | Main component | 10 g |
| P-610959675 | 90 | Main component | 16.838 g |
| P-851949200 | N/A | Main component | in stock |
| P-619158844 | 98 | Main component | 10 g |
| P-864195615 | 95 | Main component | in stock |
| P-615697426 | 98 | Main component | 5.25 g |
| P-851307482 | 95 | Main component | by synthesis |
| P-872748261 | 98 | Main component | in stock |
| P-588712094 | 95 | Main component | unavailable |
| P-615656939 | 95 | Main component | in stock |
| P-1263157441 | 95 | Main component | by synthesis |
| P-854717359 | 95 | Main component | in stock |
| P-584619234 | 95 | Main component | in stock |
| P-608275162 | 98 | Main component | in stock |
| P-885560235 | 95 | Main component | by synthesis |
| P-464618785 | 95 | Main component | by synthesis |
| P-892286149 | 95 | Main component | 904 mg |
| P-888626576 | 95 | Main component | 904 mg |
| P-502327452 | 90 | Main component | in stock |
| P-22488218 | 90 | Main component | 1000 mg |
| P-906838715 | 98 | Main component | by synthesis |
| P-611376237 | 90 | Main component | in stock |
| P-855010953 | 90 | Main component | in stock |
| P-886919207 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 409.259 |
| logP | 4.0168 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 91.68 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 106.4788 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

