MCULE-3921865036
- 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 | 78 USD | 98 | 22 working days | Get Quote |
| 5 mg | 127 USD | 98 | 16 working days | Get Quote |
| 10 mg | 209 USD | 98 | 16 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-8244494177
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3921865036.sdf |
| SMILES | MCULE-3921865036.smiles |
| Standard InChI | MCULE-3921865036.inchi |
| InChIKey | MCULE-3921865036.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-895201671 | 95 | As is | by synthesis |
| P-869137831 | 95 | As is | unavailable |
| P-888645382 | 95 | As is | unavailable |
| P-867693395 | 98 | Main component | in stock |
| P-1265952561 | 98 | Main component | in stock |
| P-903366912 | 98 | Main component | 200 mg |
| P-893605194 | 90 | Main component | 600 mg |
| P-891661410 | N/A | Main component | by synthesis |
| P-895109988 | 98 | Main component | 200 mg |
| P-1273268340 | 95 | Main component | by resynthesis (? - ? days) |
| P-1275489034 | 95 | Main component | in stock |
| P-905609956 | 98 | Main component | by synthesis |
| P-854709155 | 95 | Main component | by synthesis |
| P-888171081 | 98 | Main component | by synthesis |
| P-892287477 | 95 | Main component | unavailable |
| P-869110049 | 95 | Main component | 73 mg |
| P-888628466 | 95 | Main component | 73 mg |
| P-1271628669 | 98 | Main component | in stock |
| P-867671666 | 98 | Main component as a main component | in stock |
| P-875845266 | 98 | Main component as a main component | in stock |
| P-903216580 | N/A | Main component as a main component | 25 mg |
| P-891648649 | N/A | Main component as a main component | by synthesis |
| P-895104154 | N/A | Main component as a main component | 25 mg |
| P-1274864832 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889522074 | 95 | Main component as a main component | by synthesis |
| P-901867560 | 98 | Main component as a main component | by synthesis |
| P-887185797 | 95 | Main component as a main component | by synthesis |
| P-889438210 | N/A | Main component as a main component | 25 mg |
| P-873251984 | 97 | Main component as a main component | 5 mg |
| P-854717581 | 95 | Main component as a main component | in stock |
| P-1263153442 | 95 | Main component as a main component | by synthesis |
| P-608278136 | 98 | Main component as a main component | in stock |
| P-868541149 | 99 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 499.769 |
| logP | 5.3715 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 119.15 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 123.0581 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 18 |
| Heteroatoms | 13 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

