MCULE-5422309659
- 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 | 97 | 22 working days | Get Quote |
| 5 mg | 6 USD | 97 | 22 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5422309659.sdf |
| SMILES | MCULE-5422309659.smiles |
| Standard InChI | MCULE-5422309659.inchi |
| InChIKey | MCULE-5422309659.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570603 | 97 | As is | in stock |
| P-875731600 | N/A | As is | in stock |
| P-869190239 | 97 | As is | in stock |
| P-505390499 | 98 | As is | in stock |
| P-903060780 | 95 | As is | 46 g |
| P-580235445 | 95 | As is | by synthesis |
| P-606849745 | N/A | As is | in stock |
| P-596930583 | 95 | As is | 4.5 kg |
| P-494332476 | 95 | As is | by resynthesis (? - ? days) |
| P-864194404 | 95 | As is | in stock |
| P-907572320 | 95 | As is | by synthesis |
| P-580732586 | 97 | As is | 635 g |
| P-901461249 | 95 | As is | by synthesis |
| P-454639168 | 90 | As is | in stock |
| P-3299901 | 90 | As is | 1.903 g |
| P-452657354 | 98 | As is | in stock |
| P-425206267 | 90 | As is | in stock |
| P-851276886 | 95 | As is | by synthesis |
| P-868613019 | 97 | As is | in stock |
| P-580304212 | 95 | As is | by resynthesis (? - ? days) |
| P-905319874 | 95 | As is | in stock |
| P-870661632 | N/A | As is | in stock |
| P-492234750 | 95 | As is | in stock |
| P-31161243 | 90 | As is | unavailable |
| P-856044966 | 90 | As is | unavailable |
| P-902984562 | 95 | As is | by synthesis |
| P-867942807 | 95 | As is | in stock |
| P-584613795 | 95 | As is | in stock |
| P-878642557 | 98 | As is | in stock |
| P-889883922 | 95 | As is | by synthesis |
| P-424921326 | 90 | As is | in stock |
| P-890841784 | 95 | As is | in stock |
| P-896077807 | N/A | As is | 36.416 g |
| P-892278167 | 95 | As is | by synthesis |
| P-869179527 | 95 | As is | in stock |
| P-892301389 | 95 | As is | 1.002 g |
| P-892353905 | 95 | As is | 1.002 g |
| P-502365335 | 90 | As is | in stock |
| P-23348062 | 94 | As is | by resynthesis (? - ? days) |
| P-611436356 | 90 | As is | in stock |
| P-35098302 | 90 | As is | 152 mg |
| P-575296208 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.238 |
| logP | 2.7704 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 34.14 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 64.715 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

