MCULE-5931804753-0
- 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 | 36 USD | 92 | 15 working days | Get Quote |
| 5 mg | 67 USD | 92 | 15 working days | Get Quote |
| 10 mg | 72 USD | 95 | 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.
-
MCULE-4377838448-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5931804753-0.sdf |
| SMILES | MCULE-5931804753-0.smiles |
| Standard InChI | MCULE-5931804753-0.inchi |
| InChIKey | MCULE-5931804753-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901270285 | 95 | As is | in stock |
| P-869319232 | 95 | As is | by resynthesis (? - ? days) |
| P-851730672 | N/A | As is | by synthesis |
| P-596503954 | 90 | As is | unavailable |
| P-889842610 | 95 | As is | by synthesis |
| P-868633177 | 95 | As is | in stock |
| P-855938431 | 95 | As is | 1000 mg |
| P-588252507 | N/A | As is | by synthesis |
| P-852601248 | N/A | As is | by synthesis |
| P-854833208 | 95 | As is | by synthesis |
| P-855349844 | 90 | As is | in stock |
| P-1271521581 | 95 | As is | by synthesis |
| P-886588738 | 95 | As a main component | in stock |
| P-901263816 | 95 | As a main component | in stock |
| P-903115942 | N/A | As a main component | 10 g |
| P-1274440783 | 90 | As a main component | 4.346 g |
| P-851633023 | N/A | As a main component | by synthesis |
| P-892495614 | 90 | As a main component | 1000 mg |
| P-889809808 | 95 | As a main component | by synthesis |
| P-590862028 | 95 | As a main component | by synthesis |
| P-893219710 | 95 | As a main component | in stock |
| P-617648235 | 90 | As a main component | in stock |
| P-619331558 | 90 | As a main component | 38.495 g |
| P-868563152 | 95 | As a main component | in stock |
| P-34726831 | 90 | As a main component | by synthesis |
| P-580787562 | 90 | As a main component | by resynthesis (? - ? days) |
| P-675255227 | 95 | As a main component | by synthesis |
| P-675486590 | 95 | As a main component | in stock |
| P-675372095 | 90 | As a main component | in stock |
| P-488547208 | 90 | As a main component | in stock |
| P-24343117 | 92 | As a main component | 300 mg |
| P-852383492 | N/A | As a main component | by synthesis |
| P-895263310 | 95 | As a main component | by synthesis |
| P-454366826 | 92 | As a main component | in stock |
| P-502440816 | 90 | As a main component | in stock |
| P-873214568 | 90 | As a main component | in stock |
| P-903644690 | 94 | As a main component | by resynthesis (? - ? days) |
| P-903643020 | 94 | As a main component | by resynthesis (? - ? days) |
| P-611420456 | 90 | As a main component | in stock |
| P-617761876 | 90 | As a main component | 2.204 g |
| P-617714142 | 90 | As a main component | 2.204 g |
| P-893845960 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.209 |
| logP | -0.0228 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 49.77 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.1238 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

