MCULE-7846550905
- 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 | 142 USD | N/A | 17 working days | Get Quote |
| 5 mg | 142 USD | N/A | 17 working days | Get Quote |
| 10 mg | 142 USD | N/A | 17 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-7954659924
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7846550905.sdf |
| SMILES | MCULE-7846550905.smiles |
| Standard InChI | MCULE-7846550905.inchi |
| InChIKey | MCULE-7846550905.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886688431 | 91 | As a main component | in stock |
| P-889990382 | N/A | As a main component | by synthesis |
| P-869236264 | 95 | As a main component | in stock |
| P-903256356 | 91 | As a main component | 1000 mg |
| P-851776902 | N/A | As a main component | by synthesis |
| P-889818253 | 95 | As a main component | by synthesis |
| P-611184165 | 91 | As a main component | by synthesis |
| P-901478696 | 95 | As a main component | by synthesis |
| P-854875534 | 95 | As a main component | by synthesis |
| P-611542540 | 90 | As a main component | in stock |
| P-893719763 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 258.768 |
| logP | 1.5069 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 51.79 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 74.631 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |

