MCULE-9443588391-0
- 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 | 78 USD | 95 | 11 working days | Get Quote | 
| 5 mg | 78 USD | 95 | 11 working days | Get Quote | 
| 10 mg | 78 USD | 95 | 11 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-5477766782-0
- Component type: Main
 
| Name | File | 
|---|---|
| SDF | MCULE-9443588391-0.sdf | 
| SMILES | MCULE-9443588391-0.smiles | 
| Standard InChI | MCULE-9443588391-0.inchi | 
| InChIKey | MCULE-9443588391-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-612942629 | 98 | As is | in stock | 
| P-851641277 | N/A | As is | by synthesis | 
| P-489224158 | 97 | As is | in stock | 
| P-870024243 | 90 | As is | 1000 mg | 
| P-864272908 | 95 | As is | by synthesis | 
| P-901418592 | 95 | As is | by synthesis | 
| P-861553090 | 95 | As is | by synthesis | 
| P-580439376 | 95 | As is | by resynthesis (? - ? days) | 
| P-502550787 | 95 | As is | by synthesis | 
| P-492235635 | 95 | As is | in stock | 
| P-852384114 | N/A | As is | in stock | 
| P-864073342 | 95 | As is | by synthesis | 
| P-23338817 | 90 | As is | in stock | 
| P-502390476 | 90 | As is | in stock | 
| P-873212197 | 94 | As is | by resynthesis (? - ? days) | 
| P-873081143 | 94 | As is | by resynthesis (? - ? days) | 
| P-873064792 | 94 | As is | by resynthesis (? - ? days) | 
| P-906869675 | 98 | As is | by synthesis | 
| P-611572577 | 90 | As is | in stock | 
| P-886916201 | 95 | As is | by synthesis | 
| P-886615250 | 95 | As a main component | in stock | 
| P-901198817 | N/A | As a main component | by synthesis | 
| P-869335355 | 95 | As a main component | in stock | 
| P-903155170 | 95 | As a main component | 5 g | 
| P-904028304 | N/A | As a main component | by synthesis | 
| P-905538620 | 95 | As a main component | by synthesis | 
| P-868641803 | 95 | As a main component | in stock | 
| P-895317139 | 95 | As a main component | by synthesis | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 165.232 | 
| logP | 2.4229 | 
| H-bond acceptors | 2 | 
| H-bond donors | 1 | 
| Rotatable bonds | 4 | 
| PSA | 35.25 | 
| RO5 violations | 0 | 
| RO3 violations | 1 | 
| Refractivity | 50.2214 | 
| Atoms | 27 | 
| Rings | 1 | 
| Heavy atoms | 12 | 
| Hydrogen atoms | 15 | 
| Heteroatoms | 2 | 
| N/O atoms | 2 | 
| 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 | 

