MCULE-8181289443-0
- 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 | 50 USD | 90 | 21 working days | Get Quote | 
| 5 mg | 65 USD | 96 | 11 working days | Get Quote | 
| 10 mg | 65 USD | 96 | 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.
 
| Name | File | 
|---|---|
| SDF | MCULE-8181289443-0.sdf | 
| SMILES | MCULE-8181289443-0.smiles | 
| Standard InChI | MCULE-8181289443-0.inchi | 
| InChIKey | MCULE-8181289443-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-886629475 | 96 | As is | in stock | 
| P-890161962 | N/A | As is | in stock | 
| P-590355813 | 95 | As is | in stock | 
| P-903175233 | 95 | As is | 2.5 g | 
| P-589664452 | 95 | As is | by resynthesis (? - ? days) | 
| P-596503736 | 90 | As is | 1000 mg | 
| P-870064246 | 90 | As is | 1000 mg | 
| P-889808756 | 95 | As is | by synthesis | 
| P-901532846 | 95 | As is | by synthesis | 
| P-868585221 | 96 | As is | in stock | 
| P-881674858 | N/A | As is | by resynthesis (? - ? days) | 
| P-502480933 | 95 | As is | by synthesis | 
| P-492228939 | 95 | As is | in stock | 
| P-563666026 | 95 | As is | 1000 mg | 
| P-852387191 | N/A | As is | in stock | 
| P-864076171 | 95 | As is | by synthesis | 
| P-492285192 | 95 | As is | 1000 mg | 
| P-424339220 | 90 | As is | 1000 mg | 
| P-885516234 | 95 | As is | by synthesis | 
| P-502375123 | 90 | As is | in stock | 
| P-903656506 | 94 | As is | by resynthesis (? - ? days) | 
| P-611468298 | 90 | As is | in stock | 
| P-893765462 | 95 | As is | by synthesis | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 182.238 | 
| logP | 2.0874 | 
| H-bond acceptors | 2 | 
| H-bond donors | 1 | 
| Rotatable bonds | 3 | 
| PSA | 29.26 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 51.3904 | 
| Atoms | 28 | 
| Rings | 1 | 
| Heavy atoms | 13 | 
| Hydrogen atoms | 15 | 
| Heteroatoms | 3 | 
| N/O atoms | 2 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 1 | 
| Chiral centers | 1 | 
| R/S chiral centers | 0 | 
| Unknown chiral centers | 0 | 
| Undefined chiral centers | 1 | 
| Stereo double bonds | 0 | 
| Cis/trans stereo double bonds | 0 | 
| Unknown stereo double bonds | 0 | 
| Undefined stereo double bonds | 0 | 

