MCULE-1642750788
- 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 | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 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.
-
MCULE-7768843250
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1642750788.sdf |
| SMILES | MCULE-1642750788.smiles |
| Standard InChI | MCULE-1642750788.inchi |
| InChIKey | MCULE-1642750788.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875704231 | N/A | As a main component | in stock |
| P-597018047 | 95 | As a main component | in stock |
| P-590380613 | 98 | As a main component | in stock |
| P-903029267 | 97 | As a main component | 2.2 kg |
| P-606888917 | N/A | As a main component | in stock |
| P-489147003 | 97 | As a main component | in stock |
| P-596940148 | 97 | As a main component | 1000 g |
| P-494332186 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864182653 | 95 | As a main component | in stock |
| P-580698044 | 97 | As a main component | 175 g |
| P-901464731 | 95 | As a main component | by synthesis |
| P-868612714 | 97 | As a main component | in stock |
| P-580296688 | 95 | As a main component | by resynthesis (? - ? days) |
| P-579718833 | 95 | As a main component | in stock |
| P-889113973 | 98 | As a main component | 25 g |
| P-596573963 | 97 | As a main component | 100 g |
| P-588253800 | N/A | As a main component | by synthesis |
| P-852454718 | N/A | As a main component | in stock |
| P-895221250 | 95 | As a main component | in stock |
| P-885536883 | 95 | As a main component | by synthesis |
| P-502364546 | 90 | As a main component | in stock |
| P-906760506 | 98 | As a main component | by synthesis |
| P-611448816 | 90 | As a main component | in stock |
| P-893639972 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 427.749 |
| logP | 10.8856 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 24 |
| PSA | 13.59 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 145.744 |
| Atoms | 89 |
| Rings | 0 |
| Heavy atoms | 29 |
| Hydrogen atoms | 60 |
| Heteroatoms | 1 |
| N/O atoms | 0 |
| 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 |

