Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6646243363-0
Structure
Show compound
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 | 22 working days | Get Quote |
| 5 mg | 20 USD | 95 | 22 working days | Get Quote |
| 10 mg | 20 USD | 95 | 22 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-4378922647-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6646243363-0.sdf |
| SMILES | MCULE-6646243363-0.smiles |
| Standard InChI | MCULE-6646243363-0.inchi |
| InChIKey | MCULE-6646243363-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867619036 | 95 | As is | in stock |
| P-875781151 | N/A | As is | in stock |
| P-881661500 | 98 | As is | in stock |
| P-869238827 | 95 | As is | in stock |
| P-903125698 | 95 | As is | 2 g |
| P-851552498 | N/A | As is | by synthesis |
| P-888817597 | 95 | As is | unavailable |
| P-864252810 | 95 | As is | by synthesis |
| P-590803562 | 95 | As is | by synthesis |
| P-901540350 | 95 | As is | by synthesis |
| P-616225529 | 95 | As is | in stock |
| P-4140264 | 90 | As is | 25 mg |
| P-868565087 | 95 | As is | in stock |
| P-855948006 | 95 | As is | 5 g |
| P-895642078 | 95 | As is | by synthesis |
| P-873226294 | 90 | As is | in stock |
| P-906856908 | 95 | As is | by synthesis |
| P-893797673 | 95 | As is | by synthesis |
| P-893783083 | 95 | As is | by synthesis |
| P-868525256 | 95 | As is | in stock |
| P-860642917 | N/A | Main component | by synthesis |
| P-894619228 | 95 | Main component | in stock |
| P-893583989 | 90 | Main component | 20 g |
| P-851566390 | N/A | Main component | by synthesis |
| P-864252858 | 95 | Main component | by synthesis |
| P-854790507 | 95 | Main component | by synthesis |
| P-906804541 | 95 | Main component | by synthesis |
| P-611419451 | 90 | Main component | in stock |
| P-886928520 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 201.691 |
| logP | 3.1685 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.2807 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
