MCULE-6689858492
- 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 | 18 USD | N/A | 22 working days | Get Quote |
| 5 mg | 18 USD | N/A | 22 working days | Get Quote |
| 10 mg | 18 USD | N/A | 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-6689858492.sdf |
| SMILES | MCULE-6689858492.smiles |
| Standard InChI | MCULE-6689858492.inchi |
| InChIKey | MCULE-6689858492.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633865 | 95 | As is | in stock |
| P-875798316 | N/A | As is | in stock |
| P-590363791 | 95 | As is | in stock |
| P-851815358 | N/A | As is | by synthesis |
| P-489155178 | 97 | As is | in stock |
| P-901359320 | 95 | As is | by synthesis |
| P-674399031 | 95 | As is | by synthesis |
| P-577174763 | 90 | As is | by synthesis |
| P-5134103 | 90 | As is | 5 mg |
| P-436442057 | 90 | As is | 99 g |
| P-289307 | 90 | As is | 903 mg |
| P-436463443 | 95 | As is | 20 g |
| P-34854038 | 90 | As is | in stock |
| P-861532426 | 95 | As is | by synthesis |
| P-34714660 | 90 | As is | by synthesis |
| P-580787129 | 90 | As is | by resynthesis (? - ? days) |
| P-502492438 | 95 | As is | by synthesis |
| P-675482756 | 90 | As is | in stock |
| P-492228304 | 95 | As is | in stock |
| P-488550295 | 90 | As is | in stock |
| P-13749133 | 95 | As is | 300 mg |
| P-596594268 | 90 | As is | 5 g |
| P-852433960 | N/A | As is | in stock |
| P-854920699 | 95 | As is | by synthesis |
| P-454372016 | 92 | As is | in stock |
| P-491225359 | 95 | As is | by synthesis |
| P-19790789 | 90 | As is | in stock |
| P-896081133 | N/A | As is | 634 mg |
| P-22613374 | 90 | As is | in stock |
| P-502336691 | 90 | As is | in stock |
| P-888595794 | 94 | As is | by resynthesis (? - ? days) |
| P-611576709 | 90 | As is | in stock |
| P-1890049 | 90 | As is | 1.006 g |
| P-464682651 | 90 | As is | 1.006 g |
| P-893674234 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.275 |
| logP | 2.57418 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 138.38 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 42.1494 |
| Atoms | 11 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 2 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| 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 |

