Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2686748426
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 18 USD | 98 | 20 working days | Get Quote |
| 5 mg | 18 USD | 98 | 20 working days | Get Quote |
| 10 mg | 18 USD | 98 | 20 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-2686748426.sdf |
| SMILES | MCULE-2686748426.smiles |
| Standard InChI | MCULE-2686748426.inchi |
| InChIKey | MCULE-2686748426.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867584911 | 96 | As is | in stock |
| P-875742567 | 96 | As is | in stock |
| P-590371868 | N/A | As is | by resynthesis (? - ? days) |
| P-903073191 | 97 | As is | 10 g |
| P-904730282 | N/A | As is | in stock |
| P-489122878 | 97 | As is | in stock |
| P-596988672 | 98 | As is | 10 g |
| P-494330064 | 95 | As is | by resynthesis (? - ? days) |
| P-869779768 | 90 | As is | 14 mg |
| P-864144777 | 95 | As is | in stock |
| P-904367830 | 97 | As is | 26.249 g |
| P-901430829 | 95 | As is | by synthesis |
| P-577172317 | 90 | As is | by synthesis |
| P-868605857 | 95 | As is | in stock |
| P-861929526 | 98 | As is | 46.84 g |
| P-863615772 | 99 | As is | by synthesis |
| P-502492904 | 95 | As is | by synthesis |
| P-454304057 | 90 | As is | unavailable |
| P-31185679 | 90 | As is | 5 g |
| P-856044351 | 90 | As is | 5 g |
| P-580480085 | N/A | As is | by synthesis |
| P-852602849 | N/A | As is | by synthesis |
| P-1272503531 | 95 | As is | in stock |
| P-492275660 | 95 | As is | 874 mg |
| P-34009131 | 90 | As is | 874 mg |
| P-500384566 | 98 | As is | by synthesis |
| P-885515979 | 95 | As is | by synthesis |
| P-424808458 | 90 | As is | in stock |
| P-873214379 | 90 | As is | in stock |
| P-596709930 | 90 | As is | 1000 mg |
| P-906904339 | 96 | As is | in stock |
| P-611378867 | 90 | As is | in stock |
| P-464691549 | 90 | As is | 2.04 g |
| P-542326 | 90 | As is | 2.04 g |
| P-3240371 | 90 | As is | 2.04 g |
| P-1271675085 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 188.179 |
| logP | 2.6448 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 51.1033 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
