MCULE-9560179760
- 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 | 13 USD | 97 | 22 working days | Get Quote |
| 5 mg | 13 USD | 97 | 22 working days | Get Quote |
| 10 mg | 20 USD | 97 | 22 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-1744224367
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9560179760.sdf |
| SMILES | MCULE-9560179760.smiles |
| Standard InChI | MCULE-9560179760.inchi |
| InChIKey | MCULE-9560179760.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867632193 | 97 | As is | in stock |
| P-875796625 | 97 | As is | in stock |
| P-869319479 | 95 | As is | by resynthesis (? - ? days) |
| P-903149713 | 97 | As is | 100 mg |
| P-893605375 | 90 | As is | 2.37 g |
| P-1270314389 | 98 | As is | in stock |
| P-606887238 | N/A | As is | in stock |
| P-873294949 | 98 | As is | 250 mg |
| P-1273454220 | 95 | As is | by resynthesis (? - ? days) |
| P-889578423 | 95 | As is | in stock |
| P-868544807 | 99 | As is | in stock |
| P-878233433 | 98 | As is | 1.27 g |
| P-901433234 | 95 | As is | by synthesis |
| P-887330538 | 95 | As is | by synthesis |
| P-901409311 | 97 | As is | 1.25 g |
| P-579523346 | 90 | As is | 1 mg |
| P-890212151 | 90 | As is | in stock |
| P-502446362 | 95 | As is | by synthesis |
| P-492229791 | 95 | As is | in stock |
| P-1273109867 | 95 | As is | unavailable |
| P-579641977 | 95 | As is | by resynthesis (? - ? days) |
| P-613279508 | 95 | As is | by synthesis |
| P-1275598556 | 95 | As is | by synthesis |
| P-854718094 | 95 | As is | in stock |
| P-1264426475 | 95 | As is | in stock |
| P-888173158 | 98 | As is | by synthesis |
| P-520037882 | 90 | As is | in stock |
| P-892287877 | 95 | As is | unavailable |
| P-869111723 | 95 | As is | 43 mg |
| P-888629564 | 95 | As is | 43 mg |
| P-502389107 | 90 | As is | in stock |
| P-906800780 | 97 | As is | by synthesis |
| P-855066524 | 90 | As is | in stock |
| P-1271685863 | 98 | As is | in stock |
| P-504774796 | 90 | As a main component | 1 mg |
| P-504264401 | 90 | As a main component | by synthesis |
| P-26360937 | 90 | As a main component | 40 mg |
| P-617780865 | 90 | As a main component | 12 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 269.163 |
| logP | 3.6598 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 67.15 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.6714 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |

