MCULE-3142914346
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-3142914346.sdf |
| SMILES | MCULE-3142914346.smiles |
| Standard InChI | MCULE-3142914346.inchi |
| InChIKey | MCULE-3142914346.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886622498 | 98 | As is | in stock |
| P-889931626 | N/A | As is | by synthesis |
| P-613850111 | 95 | As is | in stock |
| P-903164961 | 95 | As is | 1000 mg |
| P-893455338 | 90 | As is | 28.643 g |
| P-851560921 | N/A | As is | by synthesis |
| P-489143926 | 97 | As is | in stock |
| P-596422013 | 90 | As is | 1000 mg |
| P-901348374 | 95 | As is | by synthesis |
| P-590885320 | 95 | As is | by synthesis |
| P-454696861 | 90 | As is | in stock |
| P-619855443 | 90 | As is | 89 mg |
| P-436448141 | 95 | As is | 10 g |
| P-675039844 | 90 | As is | in stock |
| P-861539406 | 95 | As is | by synthesis |
| P-34790370 | 90 | As is | by synthesis |
| P-580301949 | 95 | As is | by resynthesis (? - ? days) |
| P-502448245 | 95 | As is | by synthesis |
| P-502805182 | 90 | As is | in stock |
| P-492214903 | 95 | As is | in stock |
| P-12452578 | 95 | As is | 223 mg |
| P-596587155 | 90 | As is | 1000 mg |
| P-14192994 | 90 | As is | 18.637 g |
| P-467966313 | 95 | As is | 18.637 g |
| P-588251295 | N/A | As is | by synthesis |
| P-852398321 | N/A | As is | in stock |
| P-895295280 | 95 | As is | by synthesis |
| P-12286369 | 90 | As is | 4.298 g |
| P-492273373 | 95 | As is | 4.298 g |
| P-1263769387 | 95 | As is | in stock |
| P-13539093 | 92 | As is | 223 mg |
| P-500401995 | 98 | As is | by synthesis |
| P-491221336 | 95 | As is | by synthesis |
| P-23822594 | 90 | As is | in stock |
| P-502350910 | 90 | As is | in stock |
| P-22526290 | 90 | As is | 26 mg |
| P-855231012 | 90 | As is | in stock |
| P-3224875 | 90 | As is | 7.025 g |
| P-908274 | 90 | As is | 7.025 g |
| P-893764291 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 275.752 |
| logP | 2.7919 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 83.64 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 69.4462 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |

