MCULE-2638001883
- 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 | 27 USD | 98 | 16 working days | Get Quote | 
| 5 mg | 27 USD | 98 | 16 working days | Get Quote | 
| 10 mg | 43 USD | 98 | 16 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-7588339855
- Component type: Main
 
 - 
                    
                    
MCULE-6306818134
- Component type: Main
 
 
| Name | File | 
|---|---|
| SDF | MCULE-2638001883.sdf | 
| SMILES | MCULE-2638001883.smiles | 
| Standard InChI | MCULE-2638001883.inchi | 
| InChIKey | MCULE-2638001883.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-903161893 | 98 | As is | 50 mg | 
| P-25955334 | 85 | As is | 100 mg | 
| P-579477272 | 95 | As is | in stock | 
| P-895170824 | 95 | As is | in stock | 
| P-474025875 | 95 | As is | in stock | 
| P-903162887 | 98 | As a main component | 5 mg | 
| P-903161197 | 98 | As a main component | 600 mg | 
| P-871218523 | N/A | As a main component | by resynthesis (? - ? days) | 
| P-871216530 | 95 | As a main component | by synthesis | 
| P-896630079 | 95 | As a main component | by synthesis | 
| P-854718046 | 95 | As a main component | in stock | 
| P-474025876 | 95 | As a main component | in stock | 
| P-871073763 | 95 | As a main component | in stock | 
| P-608276021 | 98 | As a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 275.346 | 
| logP | 2.1677 | 
| H-bond acceptors | 5 | 
| H-bond donors | 1 | 
| Rotatable bonds | 3 | 
| PSA | 44.81 | 
| RO5 violations | 0 | 
| RO3 violations | 1 | 
| Refractivity | 84.9337 | 
| Atoms | 41 | 
| Rings | 3 | 
| Heavy atoms | 20 | 
| Hydrogen atoms | 21 | 
| Heteroatoms | 5 | 
| N/O atoms | 5 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| Chiral centers | 2 | 
| R/S chiral centers | 2 | 
| 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 | 

