Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4564041662
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 | 98 | 16 working days | Get Quote |
| 5 mg | 20 USD | 98 | 16 working days | Get Quote |
| 10 mg | 20 USD | 98 | 16 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-4316821963
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4564041662.sdf |
| SMILES | MCULE-4564041662.smiles |
| Standard InChI | MCULE-4564041662.inchi |
| InChIKey | MCULE-4564041662.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875771049 | N/A | As is | in stock |
| P-869182875 | 95 | As is | in stock |
| P-505400224 | 98 | As is | in stock |
| P-903110799 | 99 | As is | 400 mg |
| P-893604791 | 90 | As is | 97.814 g |
| P-888816599 | 10 | As is | 1000 mg |
| P-889498329 | 95 | As is | by synthesis |
| P-861519482 | 95 | As is | by synthesis |
| P-596548741 | 98 | As is | 100 mg |
| P-902988740 | 95 | As is | by synthesis |
| P-854721984 | 95 | As is | in stock |
| P-584623193 | 95 | As is | in stock |
| P-608277253 | 98 | As is | in stock |
| P-617402721 | N/A | As is | in stock |
| P-869107638 | 95 | As is | by synthesis |
| P-892286247 | 95 | As is | unavailable |
| P-888626670 | 95 | As is | 175 mg |
| P-906876006 | 99 | As is | by synthesis |
| P-611527099 | 90 | As is | in stock |
| P-872760298 | 95 | As is | in stock |
| P-867637195 | 85 | Main component | in stock |
| P-875802449 | N/A | Main component | in stock |
| P-904303911 | 90 | Main component | by synthesis |
| P-864318543 | 95 | Main component | by synthesis |
| P-34858431 | 90 | Main component | in stock |
| P-899990143 | 95 | Main component | by synthesis |
| P-872678584 | 95 | Main component | in stock |
| P-888447587 | 94 | Main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 335.866 |
| logP | 4.6179 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 52.49 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 97.6885 |
| Atoms | 49 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 26 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
