MCULE-5628531135
- 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 | 97 | 20 working days | Get Quote |
| 5 mg | 9 USD | 97 | 20 working days | Get Quote |
| 10 mg | 9 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5628531135.sdf |
| SMILES | MCULE-5628531135.smiles |
| Standard InChI | MCULE-5628531135.inchi |
| InChIKey | MCULE-5628531135.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867590853 | 98 | As is | in stock |
| P-875749936 | N/A | As is | in stock |
| P-611623580 | 98 | As is | in stock |
| P-903080899 | 96 | As is | 50 g |
| P-893570939 | 90 | As is | 400.368 g |
| P-870136280 | N/A | As is | in stock |
| P-489140114 | 97 | As is | in stock |
| P-865911258 | 97 | As is | 275 g |
| P-864186625 | 98 | As is | in stock |
| P-666961955 | 96 | As is | 6.5 g |
| P-893253236 | 95 | As is | by synthesis |
| P-868614949 | 97 | As is | in stock |
| P-905415858 | 97 | As is | 110.547 g |
| P-855986441 | 97 | As is | 5 g |
| P-31162404 | 90 | As is | 10 g |
| P-872929329 | 97 | As is | 5 g |
| P-852608793 | N/A | As is | in stock |
| P-854693667 | 95 | As is | in stock |
| P-888861796 | N/A | As is | in stock |
| P-889869128 | 95 | As is | by synthesis |
| P-873284604 | N/A | As is | in stock |
| P-855339496 | 90 | As is | in stock |
| P-893996421 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 106.121 |
| logP | 1.0468 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 32.712 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 6 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

