Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8159016228
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 110 USD | N/A | 9 working days | Get Quote |
| 5 mg | 110 USD | N/A | 9 working days | Get Quote |
| 10 mg | 110 USD | N/A | 9 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-9492125082
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8159016228.sdf |
| SMILES | MCULE-8159016228.smiles |
| Standard InChI | MCULE-8159016228.inchi |
| InChIKey | MCULE-8159016228.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867304280 | N/A | As is | by synthesis |
| P-901196626 | N/A | As is | by synthesis |
| P-611357123 | 90 | As is | in stock |
| P-1270157323 | 98 | Main component as a main component | in stock |
| P-1266012590 | N/A | Main component as a main component | in stock |
| P-901255969 | N/A | Main component as a main component | in stock |
| P-1268836966 | 98 | Main component as a main component | in stock |
| P-1275274376 | 95 | Main component as a main component | 25 mg |
| P-1263859923 | N/A | Main component as a main component | in stock |
| P-1272021504 | 95 | Main component as a main component | 25 mg |
| P-1274843153 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1263782306 | 95 | Main component as a main component | by synthesis |
| P-1274918437 | 95 | Main component as a main component | by synthesis |
| P-895846941 | 95 | Main component as a main component | by synthesis |
| P-611615143 | 90 | Main component as a main component | in stock |
| P-1271444071 | 98 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 279.118 |
| logP | -1.4071 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 62.983 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
