MCULE-2011834955
- 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 | 98 | 22 working days | Get Quote | 
| 5 mg | 6 USD | 98 | 22 working days | Get Quote | 
| 10 mg | 6 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.
- 
                    
                    - MCULE-2223333495
- Component type: Main
 
- 
                    
                    - MCULE-4652926593
- Component type: Main
 
| Name | File | 
|---|---|
| SDF | MCULE-2011834955.sdf | 
| SMILES | MCULE-2011834955.smiles | 
| Standard InChI | MCULE-2011834955.inchi | 
| InChIKey | MCULE-2011834955.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867533751 | 97 | As is | in stock | 
| P-875688245 | N/A | As is | in stock | 
| P-869185615 | 95 | As is | in stock | 
| P-505348447 | 98 | As is | in stock | 
| P-606890535 | N/A | As is | in stock | 
| P-580194872 | 98 | As is | in stock | 
| P-864112505 | 95 | As is | in stock | 
| P-1263490094 | 95 | As is | by synthesis | 
| P-580450317 | 99 | As is | in stock | 
| P-428630142 | 90 | As is | in stock | 
| P-492273275 | 95 | As is | 33.22 g | 
| P-505492303 | 95 | As is | in stock | 
| P-580041890 | 90 | As is | in stock | 
| P-890850021 | 95 | As is | in stock | 
| P-674817436 | 90 | As is | 33.22 g | 
| P-881187773 | 90 | As is | 1000 mg | 
| P-620219079 | 95 | As is | 33.22 g | 
| P-500374858 | 98 | As is | by synthesis | 
| P-500381532 | 98 | As is | by synthesis | 
| P-525182948 | 95 | As is | by synthesis | 
| P-869178053 | 95 | As is | in stock | 
| P-892297379 | 95 | As is | 698 mg | 
| P-892343254 | 95 | As is | 698 mg | 
| P-855050496 | 90 | As is | in stock | 
| P-867553069 | 98 | As a main component | in stock | 
| P-867625295 | 97 | As a main component | in stock | 
| P-875711281 | N/A | As a main component | in stock | 
| P-875788119 | N/A | As a main component | in stock | 
| P-869182719 | 95 | As a main component | in stock | 
| P-535626022 | 97 | As a main component | in stock | 
| P-535624694 | 99 | As a main component | in stock | 
| P-505393830 | 98 | As a main component | in stock | 
| P-505401084 | 98 | As a main component | in stock | 
| P-1263084794 | N/A | As a main component | by synthesis | 
| P-606892122 | N/A | As a main component | in stock | 
| P-596942198 | 98 | As a main component | 2.5 kg | 
| P-864301350 | 95 | As a main component | by synthesis | 
| P-864188103 | 95 | As a main component | in stock | 
| P-1263535124 | 95 | As a main component | by synthesis | 
| P-505525673 | 95 | As a main component | in stock | 
| P-869163874 | 95 | As a main component | by synthesis | 
| P-892299990 | 95 | As a main component | 1.003 g | 
| P-888659159 | 95 | As a main component | 1.003 g | 
| P-611356984 | 90 | As a main component | in stock | 
| P-666979060 | 95 | As a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 361.367 | 
| logP | 1.5469 | 
| H-bond acceptors | 7 | 
| H-bond donors | 1 | 
| Rotatable bonds | 2 | 
| PSA | 75.01 | 
| RO5 violations | 0 | 
| RO3 violations | 3 | 
| Refractivity | 101.8323 | 
| Atoms | 46 | 
| Rings | 4 | 
| Heavy atoms | 26 | 
| Hydrogen atoms | 20 | 
| Heteroatoms | 8 | 
| N/O atoms | 7 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 1 | 
| Chiral centers | 1 | 
| R/S chiral centers | 1 | 
| 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 | 

