MCULE-4088558633
- 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 | 25 USD | 98 | 22 working days | Get Quote |
| 5 mg | 25 USD | 98 | 22 working days | Get Quote |
| 10 mg | 38 USD | 98 | 22 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-7457413278
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4088558633.sdf |
| SMILES | MCULE-4088558633.smiles |
| Standard InChI | MCULE-4088558633.inchi |
| InChIKey | MCULE-4088558633.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867677500 | 98 | As is | in stock |
| P-875854838 | N/A | As is | in stock |
| P-869248695 | 95 | As is | in stock |
| P-903293888 | 98 | As is | 200 mg |
| P-610974931 | 90 | As is | 420 mg |
| P-868834366 | 98 | As is | 200 mg |
| P-864144672 | 95 | As is | in stock |
| P-901501799 | 95 | As is | by synthesis |
| P-851268681 | 95 | As is | by synthesis |
| P-861357657 | 95 | As is | by synthesis |
| P-900265592 | 95 | As is | in stock |
| P-579480626 | 95 | As is | in stock |
| P-854621403 | 98 | As is | in stock |
| P-888622961 | 95 | As is | 100 mg |
| P-474025796 | 95 | As is | in stock |
| P-608273570 | 98 | As is | in stock |
| P-869160204 | 95 | As is | by synthesis |
| P-892294379 | 95 | As is | unavailable |
| P-888655559 | 95 | As is | 101 mg |
| P-868521252 | 95 | As is | in stock |
| P-867668017 | 95 | As a main component | in stock |
| P-875835791 | N/A | As a main component | in stock |
| P-870143757 | 97 | As a main component | in stock |
| P-903212834 | 96 | As a main component | 250 mg |
| P-893492245 | 90 | As a main component | 3.65 g |
| P-868832170 | 98 | As a main component | 250 mg |
| P-872725767 | 98 | As a main component | in stock |
| P-889793449 | 95 | As a main component | by synthesis |
| P-901547118 | 95 | As a main component | by synthesis |
| P-887188803 | 95 | As a main component | by synthesis |
| P-873250247 | 95 | As a main component | 100 mg |
| P-474025797 | 95 | As a main component | in stock |
| P-888171685 | 98 | As a main component | by synthesis |
| P-888840256 | N/A | As a main component | by synthesis |
| P-589631547 | N/A | As a main component | in stock |
| P-579712973 | N/A | As a main component | in stock |
| P-613803875 | 95 | As a main component | in stock |
| P-869149131 | 95 | As a main component | by synthesis |
| P-892293268 | 95 | As a main component | unavailable |
| P-888650026 | 95 | As a main component | 95 mg |
| P-855059593 | 90 | As a main component | in stock |
| P-855060899 | 90 | As a main component | in stock |
| P-886934322 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 488.620 |
| logP | 5.1522 |
| H-bond acceptors | 7 |
| H-bond donors | 0 |
| Rotatable bonds | 10 |
| PSA | 65.55 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 146.607 |
| Atoms | 72 |
| Rings | 5 |
| Heavy atoms | 36 |
| Hydrogen atoms | 36 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |

