Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8822562838
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-3405120876
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8822562838.sdf |
| SMILES | MCULE-8822562838.smiles |
| Standard InChI | MCULE-8822562838.inchi |
| InChIKey | MCULE-8822562838.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-588247793 | 98 | As is | in stock |
| P-504021804 | 90 | As is | by synthesis |
| P-31275732 | 90 | As is | 10 g |
| P-856042712 | 90 | As is | 10 g |
| P-867599139 | 98 | Main component | in stock |
| P-875757293 | N/A | Main component | in stock |
| P-869188329 | 95 | Main component | in stock |
| P-869350262 | 98 | Main component | in stock |
| P-505392493 | 98 | Main component | in stock |
| P-903092093 | 95 | Main component | 2.5 g |
| P-872728226 | 98 | Main component | in stock |
| P-494305647 | 95 | Main component | 640 g |
| P-864138150 | 97 | Main component | in stock |
| P-901460847 | 95 | Main component | by synthesis |
| P-454645166 | 90 | Main component | in stock |
| P-608155269 | 95 | Main component | 30 g |
| P-851286917 | 95 | Main component | by synthesis |
| P-868592971 | 98 | Main component | in stock |
| P-580304742 | 95 | Main component | by resynthesis (? - ? days) |
| P-905321981 | 97 | Main component | in stock |
| P-502528549 | 95 | Main component | by synthesis |
| P-503143465 | 90 | Main component | by synthesis |
| P-502638676 | 90 | Main component | in stock |
| P-524444346 | 97 | Main component | 100 mg |
| P-588253383 | N/A | Main component | by synthesis |
| P-852597979 | N/A | Main component | in stock |
| P-896629497 | 95 | Main component | by synthesis |
| P-854717321 | 95 | Main component | in stock |
| P-584621229 | 95 | Main component | in stock |
| P-856063693 | 95 | Main component | in stock |
| P-18893621 | 90 | Main component | in stock |
| P-869125808 | 95 | Main component | by synthesis |
| P-892290801 | 95 | Main component | unavailable |
| P-888639302 | 95 | Main component | 22.964 g |
| P-22814949 | 90 | Main component | in stock |
| P-873222552 | 90 | Main component | in stock |
| P-907206895 | 94 | Main component | by resynthesis (? - ? days) |
| P-611428222 | 90 | Main component | in stock |
| P-1269048 | 90 | Main component | 3.125 g |
| P-3218837 | 90 | Main component | 3.125 g |
| P-575329816 | 95 | Main component | in stock |
| P-893147889 | N/A | Main component as a main component | by synthesis |
| P-852082634 | N/A | Main component as a main component | by synthesis |
| P-675522569 | 90 | Main component as a main component | by synthesis |
| P-504021316 | 90 | Main component as a main component | by synthesis |
| P-504022186 | 90 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 222.599 |
| logP | 0.7771 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 49.36 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.5465 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| 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 |
