Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5228288115-0
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 | 192 USD | 96 | 24 working days | Get Quote |
| 5 mg | 389 USD | 96 | 24 working days | Get Quote |
| 10 mg | 567 USD | 96 | 24 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-3122680503-0
- Component type: Main
-
3
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5228288115-0.sdf |
| SMILES | MCULE-5228288115-0.smiles |
| Standard InChI | MCULE-5228288115-0.inchi |
| InChIKey | MCULE-5228288115-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872608734 | 95 | As is | in stock |
| P-871067846 | 95 | As is | in stock |
| P-608496155 | 95 | Main component | in stock |
| P-854622355 | 98 | Main component | in stock |
| P-871067845 | 95 | Main component | in stock |
| P-905504032 | 95 | Main component as a main component | by synthesis |
| P-904308996 | 90 | Main component as a main component | by synthesis |
| P-1263328826 | 96 | Main component as a main component | by synthesis |
| P-871067849 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 789.227 |
| logP | 6.4506 |
| H-bond acceptors | 13 |
| H-bond donors | 7 |
| Rotatable bonds | 22 |
| PSA | 222.97 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 211.1851 |
| Atoms | 108 |
| Rings | 3 |
| Heavy atoms | 52 |
| Hydrogen atoms | 56 |
| Heteroatoms | 16 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
