MCULE-5744029504-0
- 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 | 5 USD | 95 | 10 working days | Get Quote | 
| 5 mg | 5 USD | 95 | 10 working days | Get Quote | 
| 10 mg | 5 USD | 95 | 10 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-9079966949-0
- Component type: Main
 
 
| Name | File | 
|---|---|
| SDF | MCULE-5744029504-0.sdf | 
| SMILES | MCULE-5744029504-0.smiles | 
| Standard InChI | MCULE-5744029504-0.inchi | 
| InChIKey | MCULE-5744029504-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867575985 | 98 | As is | in stock | 
| P-875736234 | N/A | As is | in stock | 
| P-869193242 | 95 | As is | in stock | 
| P-505351943 | 98 | As is | in stock | 
| P-903066061 | 98 | As is | 1.5 kg | 
| P-580197856 | 95 | As is | 50 g | 
| P-606838277 | N/A | As is | in stock | 
| P-489142384 | 97 | As is | in stock | 
| P-596930899 | 98 | As is | 1000 g | 
| P-494348278 | 95 | As is | unavailable | 
| P-864182424 | 95 | As is | in stock | 
| P-580696161 | 98 | As is | 670 g | 
| P-492247010 | 95 | As is | in stock | 
| P-454639681 | 90 | As is | in stock | 
| P-436445895 | 95 | As is | 19 g | 
| P-851248731 | 95 | As is | by synthesis | 
| P-868565255 | 98 | As is | in stock | 
| P-580424955 | 95 | As is | by resynthesis (? - ? days) | 
| P-905339209 | 98 | As is | 150 g | 
| P-862000874 | 98 | As is | 1.8377 kg | 
| P-588281975 | 98 | As is | in stock | 
| P-505492550 | 95 | As is | in stock | 
| P-502446070 | 95 | As is | by synthesis | 
| P-502856405 | 90 | As is | in stock | 
| P-492228872 | 95 | As is | in stock | 
| P-454351216 | 95 | As is | 202 mg | 
| P-454416809 | 95 | As is | 500 g | 
| P-31131768 | 90 | As is | unavailable | 
| P-856044462 | 90 | As is | unavailable | 
| P-601062431 | 90 | As is | 8.312 g | 
| P-14056368 | 95 | As is | 8.312 g | 
| P-580477062 | N/A | As is | by synthesis | 
| P-852396145 | N/A | As is | in stock | 
| P-519749920 | 97 | As is | 5.6 g | 
| P-35164396 | 97 | As is | 10.562 kg | 
| P-854742663 | 95 | As is | in stock | 
| P-12961202 | 90 | As is | 412 mg | 
| P-492285937 | 95 | As is | 412 mg | 
| P-500373310 | 98 | As is | by synthesis | 
| P-856063589 | 95 | As is | in stock | 
| P-18955410 | 90 | As is | in stock | 
| P-579704009 | N/A | As is | in stock | 
| P-896077468 | N/A | As is | unavailable | 
| P-596756884 | 98 | As is | 2.27 kg | 
| P-502326529 | 90 | As is | in stock | 
| P-906780817 | 98 | As is | by synthesis | 
| P-906833202 | 97 | As is | by synthesis | 
| P-906807613 | 97 | As is | by synthesis | 
| P-906852688 | 97 | As is | by synthesis | 
| P-906765663 | 97 | As is | by synthesis | 
| P-906798971 | 97 | As is | by synthesis | 
| P-906872241 | 95 | As is | by synthesis | 
| P-3242723 | 90 | As is | 385 mg | 
| P-575298854 | 95 | As is | in stock | 
| P-901274641 | N/A | As a main component | in stock | 
| P-869229315 | 95 | As a main component | in stock | 
| P-903166292 | 97 | As a main component | 2.5 kg | 
| P-489242106 | 97 | As a main component | in stock | 
| P-597006179 | 97 | As a main component | 2.5 kg | 
| P-895925660 | 95 | As a main component | by resynthesis (? - ? days) | 
| P-864177475 | 97 | As a main component | in stock | 
| P-675651392 | 97 | As a main component | 130 g | 
| P-889734187 | 95 | As a main component | in stock | 
| P-862032369 | 95 | As a main component | 2.84461 kg | 
| P-855994842 | 97 | As a main component | 100 mg | 
| P-596572987 | 97 | As a main component | 25 g | 
| P-852580414 | N/A | As a main component | in stock | 
| P-869093910 | 95 | As a main component | in stock | 
| P-889883101 | 95 | As a main component | by synthesis | 
| P-596714044 | 90 | As a main component | 30 mg | 
| P-906775908 | 97 | As a main component | by synthesis | 
| P-855338111 | 90 | As a main component | in stock | 
| P-615455790 | 95 | As a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 184.647 | 
| logP | 3.1131 | 
| H-bond acceptors | 2 | 
| H-bond donors | 1 | 
| Rotatable bonds | 0 | 
| PSA | 67.15 | 
| RO5 violations | 0 | 
| RO3 violations | 2 | 
| Refractivity | 49.0344 | 
| Atoms | 16 | 
| Rings | 2 | 
| Heavy atoms | 11 | 
| Hydrogen atoms | 5 | 
| Heteroatoms | 4 | 
| 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 | 

