MCULE-6591279983
- 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 | 22 working days | Get Quote |
| 5 mg | 7 USD | 96 | 14 working days | Get Quote |
| 10 mg | 7 USD | 96 | 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-3565424177
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6591279983.sdf |
| SMILES | MCULE-6591279983.smiles |
| Standard InChI | MCULE-6591279983.inchi |
| InChIKey | MCULE-6591279983.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585293 | 98 | As is | in stock |
| P-875743852 | N/A | As is | in stock |
| P-505347166 | 98 | As is | in stock |
| P-869320996 | 98 | As is | in stock |
| P-903074399 | 96 | As is | 300 g |
| P-1264050733 | 95 | As is | in stock |
| P-606889382 | N/A | As is | in stock |
| P-596954066 | 98 | As is | 300 g |
| P-872725722 | 98 | As is | in stock |
| P-864170519 | 98 | As is | in stock |
| P-860055911 | 98 | As is | by synthesis |
| P-580697760 | 98 | As is | 162.25 g |
| P-34889053 | 90 | As is | in stock |
| P-851268567 | 95 | As is | by synthesis |
| P-868610970 | 97 | As is | in stock |
| P-870663189 | 97 | As is | in stock |
| P-856009664 | 97 | As is | 100 mg |
| P-580469774 | N/A | As is | by synthesis |
| P-896628480 | 95 | As is | by synthesis |
| P-863731719 | 95 | As is | in stock |
| P-474021640 | 95 | As is | in stock |
| P-608278160 | 98 | As is | in stock |
| P-1263957733 | 90 | As is | in stock |
| P-579711905 | N/A | As is | in stock |
| P-869108111 | 95 | As is | by synthesis |
| P-892286781 | 95 | As is | 1.001 g |
| P-888627155 | 95 | As is | 1.001 g |
| P-502374029 | 90 | As is | in stock |
| P-875236896 | 90 | As is | 100 mg |
| P-906876916 | 98 | As is | by synthesis |
| P-611364015 | 90 | As is | in stock |
| P-615419302 | 95 | As is | in stock |
| P-875734906 | N/A | As a main component | in stock |
| P-590412128 | 95 | As a main component | in stock |
| P-903064546 | 98 | As a main component | 5 g |
| P-851900935 | N/A | As a main component | by synthesis |
| P-881089633 | 98 | As a main component | 5 g |
| P-905461494 | 95 | As a main component | in stock |
| P-591069431 | 98 | As a main component | by synthesis |
| P-901649767 | 98 | As a main component | in stock |
| P-855988035 | 97 | As a main component | 25 g |
| P-885549515 | 95 | As a main component | by synthesis |
| P-906868189 | 98 | As a main component | by synthesis |
| P-611463699 | 90 | As a main component | in stock |
| P-886899268 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 356.047 |
| logP | 5.8626 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 65.76 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 81.093 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 6 |
| Heteroatoms | 7 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

