MCULE-6331595661
- 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 | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-6331595661.sdf |
| SMILES | MCULE-6331595661.smiles |
| Standard InChI | MCULE-6331595661.inchi |
| InChIKey | MCULE-6331595661.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867590929 | 98 | As is | in stock |
| P-875749964 | N/A | As is | in stock |
| P-869195689 | 95 | As is | in stock |
| P-590404901 | 98 | As is | in stock |
| P-903080924 | 97 | As is | 500 g |
| P-905481770 | 98 | As is | 10 g |
| P-580242829 | 95 | As is | by synthesis |
| P-851925468 | N/A | As is | in stock |
| P-596976619 | 98 | As is | 500 g |
| P-494344368 | 95 | As is | 600 g |
| P-864185188 | 95 | As is | in stock |
| P-898224861 | 95 | As is | 21 g |
| P-580734372 | 98 | As is | 1.125 kg |
| P-893222524 | 95 | As is | in stock |
| P-454693911 | 90 | As is | in stock |
| P-448680275 | 90 | As is | 81 mg |
| P-436447285 | 95 | As is | 15 g |
| P-20019183 | 90 | As is | in stock |
| P-868603801 | 98 | As is | in stock |
| P-34816433 | 90 | As is | by synthesis |
| P-899882660 | 90 | As is | by resynthesis (? - ? days) |
| P-899881295 | 90 | As is | in stock |
| P-900265464 | 95 | As is | in stock |
| P-580428466 | 95 | As is | by resynthesis (? - ? days) |
| P-905330227 | 97 | As is | 56 g |
| P-861934005 | 97 | As is | 56 g |
| P-492217061 | 95 | As is | in stock |
| P-900954669 | 90 | As is | in stock |
| P-870641442 | 95 | As is | 100 mg |
| P-596602900 | 95 | As is | 500 g |
| P-579634320 | 98 | As is | by resynthesis (? - ? days) |
| P-31256558 | 90 | As is | unavailable |
| P-588249711 | N/A | As is | by synthesis |
| P-852397589 | N/A | As is | in stock |
| P-904059705 | 95 | As is | by synthesis |
| P-863734488 | 95 | As is | in stock |
| P-888171310 | 98 | As is | by synthesis |
| P-500399132 | 98 | As is | by synthesis |
| P-885524687 | 95 | As is | by synthesis |
| P-19554023 | 90 | As is | in stock |
| P-617402192 | N/A | As is | in stock |
| P-892238273 | 95 | As is | by synthesis |
| P-869176339 | 95 | As is | in stock |
| P-892292880 | 95 | As is | unavailable |
| P-892328240 | 95 | As is | 204 mg |
| P-22802397 | 90 | As is | in stock |
| P-502352463 | 90 | As is | in stock |
| P-888433194 | 94 | As is | by resynthesis (? - ? days) |
| P-906780047 | 98 | As is | by synthesis |
| P-580448489 | 97 | As is | in stock |
| P-3230820 | 90 | As is | 2.42 g |
| P-987783 | 90 | As is | 2.42 g |
| P-575296389 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.183 |
| logP | 1.433 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.8205 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| 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 |

