Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2232918173
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 | 49 USD | 90 | 21 working days | Get Quote |
| 5 mg | 79 USD | 90 | 21 working days | Get Quote |
| 10 mg | 95 USD | 90 | 21 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-2009702311
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2232918173.sdf |
| SMILES | MCULE-2232918173.smiles |
| Standard InChI | MCULE-2232918173.inchi |
| InChIKey | MCULE-2232918173.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886695244 | 95 | As is | in stock |
| P-889996421 | N/A | As is | by synthesis |
| P-904631644 | 95 | As is | in stock |
| P-903262920 | 95 | As is | 500 mg |
| P-893469708 | 90 | As is | 2.57 g |
| P-851390113 | N/A | As is | by synthesis |
| P-889822371 | 95 | As is | by synthesis |
| P-590716296 | 95 | As is | by synthesis |
| P-901434791 | 95 | As is | by synthesis |
| P-852508279 | N/A | As is | in stock |
| P-895262510 | 95 | As is | by synthesis |
| P-855252708 | 90 | As is | in stock |
| P-893775894 | 95 | As is | by synthesis |
| P-886695838 | 95 | Main component | in stock |
| P-889996565 | N/A | Main component | by synthesis |
| P-869314002 | 95 | Main component | in stock |
| P-903263098 | 95 | Main component | 1000 mg |
| P-851493339 | N/A | Main component | by synthesis |
| P-889824410 | 95 | Main component | by synthesis |
| P-611050426 | 95 | Main component | by synthesis |
| P-901550790 | 95 | Main component | by synthesis |
| P-580309238 | 95 | Main component | by resynthesis (? - ? days) |
| P-502530009 | 95 | Main component | by synthesis |
| P-895485573 | 95 | Main component | by synthesis |
| P-492276206 | 97 | Main component | 1000 mg |
| P-12411775 | 90 | Main component | 1000 mg |
| P-893771226 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 228.674 |
| logP | 2.5378 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 55.56 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.4304 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
