MCULE-9811666836
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 54 USD | 90 | 22 working days | Get Quote |
| 10 mg | 70 USD | 90 | 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.
| Name | File |
|---|---|
| SDF | MCULE-9811666836.sdf |
| SMILES | MCULE-9811666836.smiles |
| Standard InChI | MCULE-9811666836.inchi |
| InChIKey | MCULE-9811666836.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886538433 | 95 | As is | in stock |
| P-890142471 | N/A | As is | in stock |
| P-869315666 | 95 | As is | in stock |
| P-903043940 | 97 | As is | 3 g |
| P-904326037 | 90 | As is | 75 g |
| P-901180225 | N/A | As is | in stock |
| P-869581261 | 90 | As is | 52 mg |
| P-904965419 | 95 | As is | in stock |
| P-901920868 | 97 | As is | 1.678 g |
| P-901554487 | 95 | As is | by synthesis |
| P-6654358 | 90 | As is | 100 mg |
| P-870581873 | 98 | As is | in stock |
| P-502802383 | 90 | As is | in stock |
| P-492226722 | 95 | As is | in stock |
| P-579677944 | 95 | As is | by resynthesis (? - ? days) |
| P-854878487 | 95 | As is | by synthesis |
| P-13096797 | 90 | As is | 1000 mg |
| P-596794748 | 95 | As is | by synthesis |
| P-19045752 | 90 | As is | in stock |
| P-502375074 | 90 | As is | in stock |
| P-903639746 | 94 | As is | by resynthesis (? - ? days) |
| P-3239194 | 90 | As is | 278 mg |
| P-711861 | 90 | As is | 278 mg |
| P-893769724 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.680 |
| logP | 3.4201 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 24.92 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.0397 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| 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 |

