MCULE-8573718018
- 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 | 78 USD | 95 | 9 working days | Get Quote |
| 5 mg | 78 USD | 95 | 9 working days | Get Quote |
| 10 mg | 78 USD | 95 | 9 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-9154561207
- Component type: Main
-
MCULE-6669702908
- Component type: Main
-
MCULE-2781538538
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8573718018.sdf |
| SMILES | MCULE-8573718018.smiles |
| Standard InChI | MCULE-8573718018.inchi |
| InChIKey | MCULE-8573718018.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270123166 | 95 | As is | in stock |
| P-1268875910 | 90 | As is | by synthesis |
| P-869024836 | 95 | As is | by synthesis |
| P-855353145 | 90 | As is | in stock |
| P-867668684 | 95 | As a main component | in stock |
| P-1266163525 | 95 | As a main component | in stock |
| P-886831032 | 95 | As a main component | in stock |
| P-1265902917 | 95 | As a main component | in stock |
| P-890104933 | 95 | As a main component | by synthesis |
| P-903440818 | 95 | As a main component | 5 g |
| P-1263675038 | N/A | As a main component | by synthesis |
| P-851698242 | N/A | As a main component | by synthesis |
| P-1275582346 | 95 | As a main component | by synthesis |
| P-1263327939 | 95 | As a main component | by synthesis |
| P-868570230 | 95 | As a main component | in stock |
| P-895870450 | 95 | As a main component | by synthesis |
| P-895694074 | 95 | As a main component | by synthesis |
| P-611398129 | 90 | As a main component | in stock |
| P-893808829 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.248 |
| logP | 2.5185 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 58.5564 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

