MCULE-9670046114-0
- 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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 14 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-4287235640-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9670046114-0.sdf |
| SMILES | MCULE-9670046114-0.smiles |
| Standard InChI | MCULE-9670046114-0.inchi |
| InChIKey | MCULE-9670046114-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867591232 | N/A | As is | in stock |
| P-875749665 | N/A | As is | in stock |
| P-869191444 | 98 | As is | in stock |
| P-595214407 | N/A | As is | in stock |
| P-903080795 | 99 | As is | 10 kg |
| P-851946262 | N/A | As is | in stock |
| P-489121858 | 97 | As is | in stock |
| P-596989344 | 99 | As is | 11.5 kg |
| P-864206277 | 95 | As is | in stock |
| P-901545445 | 95 | As is | by synthesis |
| P-580307568 | 95 | As is | by resynthesis (? - ? days) |
| P-905429623 | 98 | As is | 2.007 kg |
| P-31275693 | 90 | As is | 10 g |
| P-856040369 | 90 | As is | 10 g |
| P-852466568 | N/A | As is | in stock |
| P-854740577 | 95 | As is | in stock |
| P-502368693 | 90 | As is | in stock |
| P-906851999 | 98 | As is | by synthesis |
| P-906758014 | 99 | As is | by synthesis |
| P-611489586 | 90 | As is | in stock |
| P-480898043 | 95 | As is | in stock |
| P-500255304 | N/A | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.226 |
| logP | 0.3124 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 36.92 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.91 |
| Atoms | 30 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

