MCULE-7728868981
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-7825497955
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7728868981.sdf |
| SMILES | MCULE-7728868981.smiles |
| Standard InChI | MCULE-7728868981.inchi |
| InChIKey | MCULE-7728868981.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886629485 | 95 | As is | in stock |
| P-889935084 | N/A | As is | by synthesis |
| P-612934871 | 95 | As is | in stock |
| P-903175243 | 95 | As is | 5 g |
| P-596497804 | 90 | As is | 1000 mg |
| P-596457268 | 90 | As is | 1000 mg |
| P-1263785933 | 95 | As is | in stock |
| P-901475026 | 95 | As is | by synthesis |
| P-861556554 | 95 | As is | by synthesis |
| P-502480131 | 95 | As is | by synthesis |
| P-563676894 | 95 | As is | 1000 mg |
| P-613277092 | 95 | As is | by synthesis |
| P-852388956 | N/A | As is | in stock |
| P-854851405 | 95 | As is | by synthesis |
| P-492284958 | 95 | As is | 13.245 g |
| P-12915786 | 90 | As is | 13.245 g |
| P-885516861 | 95 | As is | by synthesis |
| P-454247700 | 90 | As is | 5 mg |
| P-502390306 | 90 | As is | in stock |
| P-903662203 | 94 | As is | by resynthesis (? - ? days) |
| P-33179697 | 90 | As is | 3 mg |
| P-611608787 | 90 | As is | in stock |
| P-893736619 | 95 | As is | by synthesis |
| P-675475650 | 90 | As a main component | in stock |
| P-488548283 | 90 | As a main component | in stock |
| P-24372722 | 95 | As a main component | 300 mg |
| P-492284980 | 90 | As a main component | 956 mg |
| P-26526276 | 90 | As a main component | 956 mg |
| P-454367341 | 92 | As a main component | in stock |
| P-13759000 | 92 | As a main component | 300 mg |
| P-617773418 | 90 | As a main component | 120 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.356 |
| logP | 1.5714 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 60.74 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.3424 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

