MCULE-6163742401
- 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 | 20 working days | Get Quote |
| 5 mg | 6 USD | 97 | 20 working days | Get Quote |
| 10 mg | 6 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-7217348217
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6163742401.sdf |
| SMILES | MCULE-6163742401.smiles |
| Standard InChI | MCULE-6163742401.inchi |
| InChIKey | MCULE-6163742401.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637626 | 95 | As is | in stock |
| P-875802723 | N/A | As is | in stock |
| P-894614776 | 95 | As is | in stock |
| P-903158131 | 95 | As is | 200 g |
| P-905490389 | 97 | As is | 100 g |
| P-893518029 | 90 | As is | 296.25 g |
| P-489205440 | 97 | As is | in stock |
| P-596968128 | 97 | As is | 125 g |
| P-895929901 | 95 | As is | by resynthesis (? - ? days) |
| P-864164694 | 95 | As is | in stock |
| P-584629378 | 97 | As is | 60 g |
| P-524199494 | 95 | As is | 10 g |
| P-860797340 | 95 | As is | unavailable |
| P-889876949 | 95 | As is | by synthesis |
| P-596779607 | 97 | As is | 1.041 kg |
| P-906755531 | 95 | As is | by synthesis |
| P-868508604 | 95 | As is | in stock |
| P-867496241 | N/A | Main component | by synthesis |
| P-489152330 | 97 | Main component | in stock |
| P-488555137 | 90 | Main component | in stock |
| P-856039346 | 90 | Main component | 10 g |
| P-31275079 | 90 | Main component | 10 g |
| P-855290816 | 90 | Main component | in stock |
| P-851747326 | N/A | Main component as a main component | by synthesis |
| P-674398506 | 97 | Main component as a main component | by synthesis |
| P-901494620 | 95 | Main component as a main component | by synthesis |
| P-874904011 | 90 | Main component as a main component | 147 mg |
| P-526109346 | 92 | Main component as a main component | in stock |
| P-33418952 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 118.991 |
| logP | 1.7747 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 38.05 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 26.3601 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 5 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

