MCULE-4970133228
- 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 | 6 USD | 97 | 14 working days | Get Quote | 
| 5 mg | 6 USD | 97 | 14 working days | Get Quote | 
| 10 mg | 6 USD | 97 | 14 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-8770519344
- Component type: Main
 
 
| Name | File | 
|---|---|
| SDF | MCULE-4970133228.sdf | 
| SMILES | MCULE-4970133228.smiles | 
| Standard InChI | MCULE-4970133228.inchi | 
| InChIKey | MCULE-4970133228.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867591514 | 98 | As is | in stock | 
| P-875750724 | N/A | As is | in stock | 
| P-597026968 | 95 | As is | in stock | 
| P-590359614 | 97 | As is | in stock | 
| P-903081098 | 97 | As is | 300 g | 
| P-893545959 | 90 | As is | 988.169 g | 
| P-901164966 | 97 | As is | in stock | 
| P-606882786 | N/A | As is | in stock | 
| P-596956037 | 98 | As is | 400 g | 
| P-494375382 | 95 | As is | by resynthesis (? - ? days) | 
| P-864183848 | 95 | As is | in stock | 
| P-481169352 | 95 | As is | 20 g | 
| P-605423934 | 98 | As is | 41 g | 
| P-893235727 | 95 | As is | in stock | 
| P-868613153 | 98 | As is | in stock | 
| P-580304425 | 95 | As is | by resynthesis (? - ? days) | 
| P-861935616 | 95 | As is | 540.304 g | 
| P-454343479 | 90 | As is | unavailable | 
| P-870137766 | 95 | As is | 500 g | 
| P-856013475 | 90 | As is | 5 g | 
| P-613278544 | 95 | As is | by synthesis | 
| P-852425771 | N/A | As is | in stock | 
| P-885518902 | 95 | As is | by synthesis | 
| P-873286558 | N/A | As is | in stock | 
| P-502374275 | 90 | As is | in stock | 
| P-906780133 | 98 | As is | by synthesis | 
| P-855010832 | 90 | As is | in stock | 
| P-580449994 | 97 | As is | in stock | 
| P-615410748 | 95 | As is | in stock | 
| P-867289975 | 97 | As a main component | by synthesis | 
| P-855143585 | 90 | As a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 165.146 | 
| logP | 1.184 | 
| H-bond acceptors | 4 | 
| H-bond donors | 2 | 
| Rotatable bonds | 2 | 
| PSA | 80.39 | 
| RO5 violations | 0 | 
| RO3 violations | 2 | 
| Refractivity | 41.4962 | 
| Atoms | 19 | 
| Rings | 1 | 
| Heavy atoms | 12 | 
| Hydrogen atoms | 7 | 
| Heteroatoms | 4 | 
| N/O atoms | 4 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| 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 | 

