Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5220063469
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 | 23 USD | 98 | 22 working days | Get Quote |
| 5 mg | 54 USD | 98 | 22 working days | Get Quote |
| 10 mg | 81 USD | 98 | 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-1527667249
- Component type: Main
-
3
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5220063469.sdf |
| SMILES | MCULE-5220063469.smiles |
| Standard InChI | MCULE-5220063469.inchi |
| InChIKey | MCULE-5220063469.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-891661354 | N/A | As is | by synthesis |
| P-1263343587 | 97 | As is | by synthesis |
| P-855927866 | 97 | As is | 100 mg |
| P-904061013 | 95 | As is | by synthesis |
| P-888174099 | 98 | As is | by synthesis |
| P-867598086 | 98 | Main component | in stock |
| P-875756535 | N/A | Main component | in stock |
| P-869227945 | 95 | Main component | in stock |
| P-872726311 | 98 | Main component | in stock |
| P-608499101 | 95 | Main component | in stock |
| P-895188068 | 95 | Main component | by synthesis |
| P-888174098 | 98 | Main component | by synthesis |
| P-596870267 | 95 | Main component | by synthesis |
| P-596714326 | 90 | Main component | 20 mg |
| P-855051268 | 90 | Main component | in stock |
| P-892919408 | 98 | Main component as a main component | by synthesis |
| P-872840915 | 98 | Main component as a main component | in stock |
| P-901232816 | N/A | Main component as a main component | by synthesis |
| P-875877475 | N/A | Main component as a main component | in stock |
| P-874608293 | 98 | Main component as a main component | in stock |
| P-893606712 | 90 | Main component as a main component | 150 mg |
| P-851792047 | N/A | Main component as a main component | by synthesis |
| P-851940759 | N/A | Main component as a main component | in stock |
| P-873302584 | 98 | Main component as a main component | 25 mg |
| P-892193392 | 98 | Main component as a main component | 100 mg |
| P-864317821 | 95 | Main component as a main component | by synthesis |
| P-904976459 | 95 | Main component as a main component | by synthesis |
| P-873439334 | 98 | Main component as a main component | by synthesis |
| P-615693672 | 98 | Main component as a main component | by synthesis |
| P-901501801 | 95 | Main component as a main component | by synthesis |
| P-873248635 | 97 | Main component as a main component | 10 mg |
| P-899782836 | 97 | Main component as a main component | 50 mg |
| P-854709943 | 95 | Main component as a main component | by synthesis |
| P-904640749 | 95 | Main component as a main component | by synthesis |
| P-863722552 | 95 | Main component as a main component | in stock |
| P-893971986 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 537.863 |
| logP | 4.3242 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 137.03 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 139.3188 |
| Atoms | 65 |
| Rings | 3 |
| Heavy atoms | 34 |
| Hydrogen atoms | 31 |
| Heteroatoms | 13 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
