MCULE-7808715702
- 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 | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-7808715702.sdf |
| SMILES | MCULE-7808715702.smiles |
| Standard InChI | MCULE-7808715702.inchi |
| InChIKey | MCULE-7808715702.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867638392 | 95 | As is | in stock |
| P-875803829 | N/A | As is | in stock |
| P-903160653 | 98 | As is | 30 g |
| P-610994508 | 90 | As is | 224.142 g |
| P-851926653 | N/A | As is | in stock |
| P-596996056 | 95 | As is | 20 g |
| P-895925531 | 95 | As is | by resynthesis (? - ? days) |
| P-864159913 | 95 | As is | in stock |
| P-666959206 | 95 | As is | 6.35 g |
| P-901451484 | 95 | As is | by synthesis |
| P-579723019 | 95 | As is | 123.7 g |
| P-889029471 | 98 | As is | in stock |
| P-881680048 | N/A | As is | by resynthesis (? - ? days) |
| P-905355584 | 97 | As is | 24 g |
| P-619803633 | 96 | As is | in stock |
| P-563665571 | 95 | As is | 1000 mg |
| P-615653737 | 95 | As is | in stock |
| P-860794894 | N/A | As is | by synthesis |
| P-854744329 | 95 | As is | in stock |
| P-492280498 | 95 | As is | 1.444 g |
| P-12683632 | 90 | As is | 1.444 g |
| P-611574693 | 90 | As is | in stock |
| P-615422265 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.205 |
| logP | 1.3088 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 43.37 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.488 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

