MCULE-8044067295
- 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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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-8044067295.sdf |
| SMILES | MCULE-8044067295.smiles |
| Standard InChI | MCULE-8044067295.inchi |
| InChIKey | MCULE-8044067295.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867579348 | 98 | As is | in stock |
| P-867637535 | 98 | As is | in stock |
| P-588246698 | 98 | As is | in stock |
| P-893570889 | 90 | As is | 30.8 g |
| P-580205642 | 95 | As is | by synthesis |
| P-606865392 | N/A | As is | in stock |
| P-851947275 | N/A | As is | in stock |
| P-873295408 | 98 | As is | 25 g |
| P-596983515 | 98 | As is | 200 g |
| P-494327680 | 95 | As is | by resynthesis (? - ? days) |
| P-864177464 | 98 | As is | in stock |
| P-901564837 | 95 | As is | by synthesis |
| P-893235044 | 95 | As is | in stock |
| P-896633245 | 95 | As is | by synthesis |
| P-500233147 | N/A | As is | in stock |
| P-889403286 | 95 | As is | 3.05 g |
| P-905434482 | 98 | As is | 309.448 g |
| P-505509410 | 95 | As is | in stock |
| P-887359924 | 95 | As is | by synthesis |
| P-454294712 | 97 | As is | 1.212 g |
| P-454390486 | 97 | As is | 25 g |
| P-14606791 | 90 | As is | 5 mg |
| P-579723586 | 90 | As is | in stock |
| P-888164178 | 90 | As is | in stock |
| P-888894424 | N/A | As is | in stock |
| P-500378889 | 98 | As is | by synthesis |
| P-889868117 | 95 | As is | by synthesis |
| P-873284335 | N/A | As is | in stock |
| P-896080133 | N/A | As is | 20.815 g |
| P-904101653 | 95 | As is | 12.5 g |
| P-502369648 | 90 | As is | in stock |
| P-906773809 | 98 | As is | by synthesis |
| P-611384370 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 198.216 |
| logP | 2.9376 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 60.6178 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

