MCULE-3641802661
- 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 | 40 USD | 90 | 22 working days | Get Quote | 
| 5 mg | 58 USD | 90 | 22 working days | Get Quote | 
| 10 mg | 73 USD | 90 | 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.
 
| Name | File | 
|---|---|
| SDF | MCULE-3641802661.sdf | 
| SMILES | MCULE-3641802661.smiles | 
| Standard InChI | MCULE-3641802661.inchi | 
| InChIKey | MCULE-3641802661.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867661856 | 97 | As is | in stock | 
| P-875830813 | N/A | As is | in stock | 
| P-894626075 | 95 | As is | in stock | 
| P-903205983 | 97 | As is | 5 g | 
| P-610979915 | 90 | As is | 96.5 g | 
| P-851715519 | N/A | As is | by synthesis | 
| P-873297508 | 97 | As is | 10 g | 
| P-579785247 | 95 | As is | by resynthesis (? - ? days) | 
| P-889776785 | 95 | As is | in stock | 
| P-590903522 | 95 | As is | by synthesis | 
| P-577180916 | 90 | As is | by synthesis | 
| P-887213921 | 95 | As is | by synthesis | 
| P-854921844 | 95 | As is | by synthesis | 
| P-491194319 | 95 | As is | by synthesis | 
| P-424877357 | 90 | As is | in stock | 
| P-611579520 | 90 | As is | in stock | 
| P-2196786 | 90 | As is | 25 mg | 
| P-886900146 | 95 | As is | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 179.215 | 
| logP | 1.9538 | 
| H-bond acceptors | 3 | 
| H-bond donors | 2 | 
| Rotatable bonds | 2 | 
| PSA | 63.32 | 
| RO5 violations | 0 | 
| RO3 violations | 1 | 
| Refractivity | 50.3502 | 
| Atoms | 26 | 
| Rings | 1 | 
| Heavy atoms | 13 | 
| Hydrogen atoms | 13 | 
| Heteroatoms | 3 | 
| N/O atoms | 3 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| 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 | 

