MCULE-8668868093
- 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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 15 USD | 98 | 8 working days | Get Quote |
| 10 mg | 20 USD | 98 | 11 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-8668868093.sdf |
| SMILES | MCULE-8668868093.smiles |
| Standard InChI | MCULE-8668868093.inchi |
| InChIKey | MCULE-8668868093.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570275 | 98 | As is | in stock |
| P-875730459 | N/A | As is | in stock |
| P-597017378 | 97 | As is | in stock |
| P-505399666 | 95 | As is | in stock |
| P-903059860 | 98 | As is | 500 mg |
| P-610961733 | 90 | As is | 219.653 g |
| P-875897006 | N/A | As is | in stock |
| P-606940981 | N/A | As is | in stock |
| P-489197858 | 97 | As is | in stock |
| P-596992414 | 98 | As is | 25 g |
| P-580193436 | 98 | As is | in stock |
| P-864109964 | 95 | As is | in stock |
| P-907575085 | 98 | As is | in stock |
| P-868543970 | 99 | As is | in stock |
| P-580712147 | 98 | As is | 5.625 g |
| P-893219246 | 95 | As is | in stock |
| P-881634159 | 98 | As is | in stock |
| P-872779835 | 95 | As is | by synthesis |
| P-860798192 | 98 | As is | in stock |
| P-868621834 | 97 | As is | in stock |
| P-579478691 | 95 | As is | in stock |
| P-500142191 | 98 | As is | in stock |
| P-505546828 | 95 | As is | in stock |
| P-579628712 | 95 | As is | 10 g |
| P-852489998 | N/A | As is | in stock |
| P-1263697828 | 95 | As is | in stock |
| P-854714506 | 95 | As is | in stock |
| P-474024983 | 95 | As is | in stock |
| P-608278078 | 98 | As is | in stock |
| P-500410985 | 98 | As is | by synthesis |
| P-579710246 | N/A | As is | in stock |
| P-869125892 | 95 | As is | by synthesis |
| P-892290826 | 95 | As is | 1.723 g |
| P-888639368 | 95 | As is | 1.723 g |
| P-855245852 | 90 | As is | in stock |
| P-893658808 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 500.595 |
| logP | 2.9619 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 104.34 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 152.7505 |
| Atoms | 69 |
| Rings | 5 |
| Heavy atoms | 37 |
| Hydrogen atoms | 32 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| 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 |

