MCULE-5682942023-0
- 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 | 25 USD | 97 | 20 working days | Get Quote |
| 5 mg | 25 USD | 97 | 20 working days | Get Quote |
| 10 mg | 25 USD | 97 | 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.
-
1
MCULE-5769182405-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5682942023-0.sdf |
| SMILES | MCULE-5682942023-0.smiles |
| Standard InChI | MCULE-5682942023-0.inchi |
| InChIKey | MCULE-5682942023-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-24486093 | 95 | As is | 202 mg |
| P-445345486 | 92 | As is | 202 mg |
| P-867412358 | N/A | Main component | by synthesis |
| P-610962300 | 90 | Main component | 90.248 g |
| P-856052711 | 95 | Main component | by synthesis |
| P-580245782 | 95 | Main component | by synthesis |
| P-596936017 | 97 | Main component | 5 g |
| P-589654789 | 95 | Main component | by resynthesis (? - ? days) |
| P-864086446 | 97 | Main component | in stock |
| P-893221671 | 95 | Main component | in stock |
| P-870587020 | 98 | Main component | in stock |
| P-861972369 | 95 | Main component | 18.248 g |
| P-905334366 | 95 | Main component | 250 mg |
| P-488544903 | 90 | Main component | in stock |
| P-885853924 | 96 | Main component | in stock |
| P-454312742 | 95 | Main component | 104 mg |
| P-855939072 | 97 | Main component | 1000 mg |
| P-596578347 | 97 | Main component | 1000 mg |
| P-454399182 | 95 | Main component | 1000 mg |
| P-854727258 | 95 | Main component | in stock |
| P-878264002 | 98 | Main component | in stock |
| P-888867625 | N/A | Main component | in stock |
| P-454364315 | 92 | Main component | in stock |
| P-885528793 | 95 | Main component | by synthesis |
| P-519970734 | 90 | Main component | in stock |
| P-502330229 | 90 | Main component | in stock |
| P-22496250 | 90 | Main component | 933 mg |
| P-3133092 | 90 | Main component | 55 mg |
| P-575313177 | 95 | Main component | in stock |
| P-886797608 | 95 | Main component as a main component | in stock |
| P-1263350874 | 95 | Main component as a main component | by synthesis |
| P-893776514 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 241.673 |
| logP | 2.0196 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 92.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.1179 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

