Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6721243535
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 | 20 USD | 95 | 10 working days | Get Quote |
| 5 mg | 20 USD | 95 | 10 working days | Get Quote |
| 10 mg | 20 USD | 95 | 10 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-9011215613
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6721243535.sdf |
| SMILES | MCULE-6721243535.smiles |
| Standard InChI | MCULE-6721243535.inchi |
| InChIKey | MCULE-6721243535.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867668837 | 95 | As is | in stock |
| P-875842944 | N/A | As is | in stock |
| P-894680147 | 95 | As is | in stock |
| P-851650550 | N/A | As is | by synthesis |
| P-611097280 | 95 | As is | by synthesis |
| P-666934269 | 95 | As is | in stock |
| P-666897568 | 90 | As is | 5 mg |
| P-861377181 | 95 | As is | by synthesis |
| P-855950167 | 95 | As is | 5 g |
| P-854936396 | 95 | As is | by synthesis |
| P-611471559 | 90 | As is | in stock |
| P-893675817 | 95 | As is | by synthesis |
| P-867494323 | 95 | Main component | by synthesis |
| P-901217101 | N/A | Main component | by synthesis |
| P-904556332 | 95 | Main component | in stock |
| P-899915109 | N/A | Main component | by synthesis |
| P-901864002 | 95 | Main component | by synthesis |
| P-492262226 | 95 | Main component | in stock |
| P-861372304 | 95 | Main component | by synthesis |
| P-869021367 | 95 | Main component | by synthesis |
| P-611580792 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 279.291 |
| logP | 2.379 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 136.09 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 64.3957 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
