MCULE-5737770848-0
- 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 | 12 USD | N/A | 22 working days | Get Quote | 
| 5 mg | 12 USD | N/A | 22 working days | Get Quote | 
| 10 mg | 12 USD | N/A | 22 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.
- 
                    
                    - MCULE-6422212535-0
- Component type: Main
 
- 
                    
                    - MCULE-4358908567-0
- Component type: Main
 
| Name | File | 
|---|---|
| SDF | MCULE-5737770848-0.sdf | 
| SMILES | MCULE-5737770848-0.smiles | 
| Standard InChI | MCULE-5737770848-0.inchi | 
| InChIKey | MCULE-5737770848-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867572222 | 98 | As is | in stock | 
| P-875732802 | N/A | As is | in stock | 
| P-869183769 | 95 | As is | in stock | 
| P-505397294 | 98 | As is | in stock | 
| P-903062384 | 98 | As is | 25 g | 
| P-893481308 | 90 | As is | 50 g | 
| P-580238913 | 95 | As is | by synthesis | 
| P-489159541 | 97 | As is | in stock | 
| P-596987722 | 98 | As is | 50 g | 
| P-864107239 | 95 | As is | in stock | 
| P-889740922 | 95 | As is | 12 g | 
| P-901454308 | 95 | As is | by synthesis | 
| P-580290664 | N/A | As is | by resynthesis (? - ? days) | 
| P-890219150 | 90 | As is | in stock | 
| P-590341613 | 90 | As is | 10 g | 
| P-505536703 | 95 | As is | in stock | 
| P-504609317 | 90 | As is | by synthesis | 
| P-579635714 | 95 | As is | by resynthesis (? - ? days) | 
| P-31142904 | 90 | As is | 5 g | 
| P-895255092 | 95 | As is | by synthesis | 
| P-500390057 | 98 | As is | by synthesis | 
| P-859995325 | 95 | As is | by synthesis | 
| P-519877731 | 90 | As is | in stock | 
| P-502328993 | 90 | As is | in stock | 
| P-906864577 | 98 | As is | by synthesis | 
| P-611376949 | 90 | As is | in stock | 
| P-893653099 | 95 | As is | by synthesis | 
| P-869191763 | 95 | As a main component | in stock | 
| P-505350934 | 98 | As a main component | in stock | 
| P-905482943 | 95 | As a main component | 1000 mg | 
| P-580239846 | 95 | As a main component | by synthesis | 
| P-489129000 | 97 | As a main component | in stock | 
| P-905439926 | 95 | As a main component | by synthesis | 
| P-901454125 | 95 | As a main component | by synthesis | 
| P-617648790 | 90 | As a main component | in stock | 
| P-851281623 | 95 | As a main component | by synthesis | 
| P-868578428 | 97 | As a main component | in stock | 
| P-505498506 | 95 | As a main component | in stock | 
| P-505536702 | 95 | As a main component | in stock | 
| P-675254320 | 95 | As a main component | by synthesis | 
| P-675489472 | 95 | As a main component | in stock | 
| P-31161126 | 90 | As a main component | 5 g | 
| P-856043140 | 90 | As a main component | 5 g | 
| P-613333270 | 95 | As a main component | by synthesis | 
| P-580486792 | 97 | As a main component | by synthesis | 
| P-852442811 | N/A | As a main component | in stock | 
| P-26443778 | 90 | As a main component | 309 mg | 
| P-617694545 | 95 | As a main component | 309 mg | 
| P-885543517 | 95 | As a main component | by synthesis | 
| P-502328705 | 90 | As a main component | in stock | 
| P-611376950 | 90 | As a main component | in stock | 
| P-615395761 | 95 | As a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 196.675 | 
| logP | 2.1434 | 
| H-bond acceptors | 2 | 
| H-bond donors | 1 | 
| Rotatable bonds | 1 | 
| PSA | 15.27 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 62.8107 | 
| Atoms | 26 | 
| Rings | 2 | 
| Heavy atoms | 13 | 
| Hydrogen atoms | 13 | 
| Heteroatoms | 3 | 
| N/O atoms | 2 | 
| 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 | 

