MCULE-2142961445-1
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 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.
-
1
MCULE-7851764030-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2142961445-1.sdf |
| SMILES | MCULE-2142961445-1.smiles |
| Standard InChI | MCULE-2142961445-1.inchi |
| InChIKey | MCULE-2142961445-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851393209 | N/A | As is | by synthesis |
| P-590718472 | 97 | As is | by synthesis |
| P-619343528 | 90 | As is | 173 mg |
| P-870501706 | 90 | As is | in stock |
| P-852395405 | N/A | As is | in stock |
| P-873216744 | 90 | As is | in stock |
| P-903655831 | 94 | As is | by resynthesis (? - ? days) |
| P-867459501 | N/A | Main component | by synthesis |
| P-894611786 | 95 | Main component | in stock |
| P-851903829 | N/A | Main component | by synthesis |
| P-596450293 | 90 | Main component | 1000 mg |
| P-596497019 | 90 | Main component | 1000 mg |
| P-591041081 | 97 | Main component | by synthesis |
| P-259427 | 90 | Main component | 275 mg |
| P-34706647 | 90 | Main component | in stock |
| P-852386898 | N/A | Main component | in stock |
| P-864055386 | 95 | Main component | by synthesis |
| P-24051635 | 90 | Main component | in stock |
| P-1837196 | 90 | Main component | 119 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 307.231 |
| logP | 3.9423 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 84.3297 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 21 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |

