MCULE-4557072285-0
- 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 | 19 USD | 92 | 18 working days | Get Quote | 
| 5 mg | 29 USD | 92 | 18 working days | Get Quote | 
| 10 mg | 36 USD | 92 | 18 working days | Get Quote | 
- 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-1584859167-0
- Component type: Main
 
- 
                    1- MCULE-7728164114-1
- Component type: Counter Ion
 
| Name | File | 
|---|---|
| SDF | MCULE-4557072285-0.sdf | 
| SMILES | MCULE-4557072285-0.smiles | 
| Standard InChI | MCULE-4557072285-0.inchi | 
| InChIKey | MCULE-4557072285-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-892872344 | 95 | As is | in stock | 
| P-889949453 | N/A | As is | by synthesis | 
| P-903215434 | 95 | As is | 500 mg | 
| P-889810015 | 95 | As is | by synthesis | 
| P-616227451 | 95 | As is | in stock | 
| P-4149674 | 90 | As is | 100 mg | 
| P-619850808 | 90 | As is | 42 mg | 
| P-861376894 | 95 | As is | by synthesis | 
| P-861298246 | 90 | As is | in stock | 
| P-580788858 | 90 | As is | by resynthesis (? - ? days) | 
| P-580773409 | 90 | As is | in stock | 
| P-579804192 | 90 | As is | in stock | 
| P-580089591 | 95 | As is | 630 mg | 
| P-870569041 | 90 | As is | in stock | 
| P-870580240 | 95 | As is | in stock | 
| P-488552882 | 90 | As is | in stock | 
| P-24445574 | 95 | As is | 300 mg | 
| P-895703085 | 95 | As is | by synthesis | 
| P-617666136 | 90 | As is | 630 mg | 
| P-620221369 | 95 | As is | 630 mg | 
| P-454370136 | 92 | As is | in stock | 
| P-674648443 | 92 | As is | 300 mg | 
| P-855215592 | 90 | As is | in stock | 
| P-893881420 | 95 | As is | by synthesis | 
| P-886541588 | 95 | Main component | in stock | 
| P-889905096 | N/A | Main component | by synthesis | 
| P-613856017 | 95 | Main component | in stock | 
| P-903048143 | 95 | Main component | 5 g | 
| P-489239395 | 97 | Main component | in stock | 
| P-889811335 | 95 | Main component | by synthesis | 
| P-504708077 | 85 | Main component | 5 mg | 
| P-454754926 | 90 | Main component | in stock | 
| P-454696662 | 90 | Main component | in stock | 
| P-436448070 | 95 | Main component | 9 g | 
| P-20013165 | 90 | Main component | in stock | 
| P-861528815 | 95 | Main component | by synthesis | 
| P-34801983 | 90 | Main component | in stock | 
| P-872921017 | 90 | Main component | by resynthesis (? - ? days) | 
| P-605203206 | 90 | Main component | in stock | 
| P-889112036 | 95 | Main component | 1.9 g | 
| P-502530215 | 95 | Main component | by synthesis | 
| P-675477689 | 90 | Main component | in stock | 
| P-675513932 | 95 | Main component | in stock | 
| P-454304372 | 90 | Main component | unavailable | 
| P-580509312 | 95 | Main component | by synthesis | 
| P-852398257 | N/A | Main component | in stock | 
| P-895685990 | 95 | Main component | by synthesis | 
| P-492279479 | 95 | Main component | 1000 mg | 
| P-424114680 | 90 | Main component | 70 mg | 
| P-856063747 | 95 | Main component | in stock | 
| P-23885120 | 90 | Main component | in stock | 
| P-33464981 | 90 | Main component | in stock | 
| P-502341642 | 90 | Main component | in stock | 
| P-888492200 | 94 | Main component | by resynthesis (? - ? days) | 
| P-611426408 | 90 | Main component | in stock | 
| P-886937797 | 95 | Main component | by synthesis | 
| Property | Value | 
|---|---|
| Components | 2 | 
| Mass | 237.727 | 
| logP | 3.5136 | 
| H-bond acceptors | 3 | 
| H-bond donors | 1 | 
| Rotatable bonds | 2 | 
| PSA | 43.84 | 
| RO5 violations | 0 | 
| RO3 violations | 1 | 
| Refractivity | 69.2774 | 
| Atoms | 32 | 
| Rings | 2 | 
| Heavy atoms | 16 | 
| Hydrogen atoms | 16 | 
| Heteroatoms | 4 | 
| N/O atoms | 3 | 
| Inorganic atoms | 0 | 
| 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 | 

