MCULE-2191137314-0
- 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 | 36 USD | 98 | 22 working days | Get Quote | 
| 5 mg | 36 USD | 98 | 22 working days | Get Quote | 
| 10 mg | 36 USD | 98 | 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.
 
- 
                    1
MCULE-5436212634-0
- Component type: Main
 
 - 
                    1
MCULE-7728164114-1
- Component type: Counter Ion
 
 
| Name | File | 
|---|---|
| SDF | MCULE-2191137314-0.sdf | 
| SMILES | MCULE-2191137314-0.smiles | 
| Standard InChI | MCULE-2191137314-0.inchi | 
| InChIKey | MCULE-2191137314-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867572227 | 98 | As is | in stock | 
| P-875732808 | N/A | As is | in stock | 
| P-590411183 | 98 | As is | in stock | 
| P-903062392 | 98 | As is | 5 g | 
| P-901478864 | 95 | As is | by synthesis | 
| P-851306598 | 95 | As is | by synthesis | 
| P-868618561 | 98 | As is | in stock | 
| P-488550835 | 90 | As is | in stock | 
| P-856043393 | 90 | As is | 10 g | 
| P-31156644 | 90 | As is | 10 g | 
| P-895256902 | 95 | As is | by synthesis | 
| P-593157640 | 95 | As is | by synthesis | 
| P-454372139 | 92 | As is | in stock | 
| P-885535337 | 95 | As is | by synthesis | 
| P-675096087 | 90 | As is | in stock | 
| P-502327036 | 90 | As is | in stock | 
| P-906875889 | 98 | As is | by synthesis | 
| P-855218217 | 90 | As is | in stock | 
| P-615404363 | 95 | As is | in stock | 
| P-852084487 | 98 | Main component | by synthesis | 
| P-615719410 | 95 | Main component | in stock | 
| P-907307847 | 95 | Main component | 10.4 g | 
| P-489160432 | 97 | Main component | in stock | 
| P-889447793 | 95 | Main component | by synthesis | 
| P-851293433 | 95 | Main component | by synthesis | 
| P-580421015 | 95 | Main component | by resynthesis (? - ? days) | 
| P-590341667 | 90 | Main component | 15 g | 
| P-890219203 | 90 | Main component | in stock | 
| P-900323220 | 95 | Main component | by synthesis | 
| P-500158557 | 96 | Main component | in stock | 
| P-856014491 | 90 | Main component | unavailable | 
| P-852488734 | N/A | Main component | in stock | 
| P-864065491 | 95 | Main component | by synthesis | 
| P-859995364 | 95 | Main component | by synthesis | 
| P-611459599 | 90 | Main component | in stock | 
| P-886918434 | 95 | Main component | by synthesis | 
| P-852187873 | N/A | Main component as a main component | by synthesis | 
| P-894676454 | 98 | Main component as a main component | in stock | 
| P-851293432 | 95 | Main component as a main component | by synthesis | 
| P-500158558 | 96 | Main component as a main component | in stock | 
| P-854937455 | 95 | Main component as a main component | by synthesis | 
| P-611459600 | 90 | Main component as a main component | in stock | 
| P-615464524 | 95 | Main component as a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 2 | 
| Mass | 242.743 | 
| logP | 2.6907 | 
| H-bond acceptors | 3 | 
| H-bond donors | 1 | 
| Rotatable bonds | 3 | 
| PSA | 24.5 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 76.0647 | 
| Atoms | 35 | 
| Rings | 2 | 
| Heavy atoms | 16 | 
| Hydrogen atoms | 19 | 
| 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 | 

