MCULE-4360779618
- 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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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-1681469163
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4360779618.sdf |
| SMILES | MCULE-4360779618.smiles |
| Standard InChI | MCULE-4360779618.inchi |
| InChIKey | MCULE-4360779618.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860608391 | 99 | As is | by synthesis |
| P-889908713 | N/A | As is | by synthesis |
| P-596984722 | 99 | As is | 11 g |
| P-904961685 | 95 | As is | in stock |
| P-505498264 | 95 | As is | in stock |
| P-500406475 | 98 | As is | by synthesis |
| P-892265348 | 95 | As is | by synthesis |
| P-892345973 | 95 | As is | unavailable |
| P-855239750 | 90 | As is | in stock |
| P-867589384 | 98 | As a main component | in stock |
| P-875749082 | N/A | As a main component | in stock |
| P-881666183 | 95 | As a main component | in stock |
| P-505389401 | 99 | As a main component | in stock |
| P-580243900 | 95 | As a main component | by synthesis |
| P-596955660 | 98 | As a main component | 300 g |
| P-864141751 | 98 | As a main component | in stock |
| P-868543780 | 99 | As a main component | in stock |
| P-893219444 | 95 | As a main component | in stock |
| P-893237037 | 95 | As a main component | in stock |
| P-580450397 | 99 | As a main component | in stock |
| P-505497134 | 95 | As a main component | in stock |
| P-492243096 | 95 | As a main component | in stock |
| P-488546745 | 90 | As a main component | in stock |
| P-854346279 | 95 | As a main component | 300 mg |
| P-524441053 | 97 | As a main component | 180 mg |
| P-872108191 | 90 | As a main component | 1.886 g |
| P-454370836 | 92 | As a main component | in stock |
| P-500401137 | 98 | As a main component | by synthesis |
| P-869107906 | 95 | As a main component | by synthesis |
| P-892286497 | 95 | As a main component | unavailable |
| P-888626929 | 95 | As a main component | 164 mg |
| P-502385881 | 90 | As a main component | in stock |
| P-611462486 | 90 | As a main component | in stock |
| P-611472099 | 90 | As a main component | in stock |
| P-854957309 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 306.226 |
| logP | 5.5705 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 12.03 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 85.9897 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 17 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |

