MCULE-6879928536
- 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 | 7 USD | 95 | 14 working days | Get Quote | 
| 5 mg | 7 USD | 95 | 14 working days | Get Quote | 
| 10 mg | 7 USD | 95 | 14 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-6879928536.sdf | 
| SMILES | MCULE-6879928536.smiles | 
| Standard InChI | MCULE-6879928536.inchi | 
| InChIKey | MCULE-6879928536.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-875746862 | N/A | As is | in stock | 
| P-590410658 | 98 | As is | in stock | 
| P-881670971 | 95 | As is | in stock | 
| P-903078316 | 95 | As is | 125 g | 
| P-893512085 | 90 | As is | 426.65 g | 
| P-606915980 | N/A | As is | in stock | 
| P-596989100 | 98 | As is | 75 g | 
| P-895930332 | 95 | As is | by resynthesis (? - ? days) | 
| P-605397670 | 95 | As is | by resynthesis (? - ? days) | 
| P-864089336 | 97 | As is | in stock | 
| P-616205152 | 98 | As is | 37 g | 
| P-868623157 | 98 | As is | in stock | 
| P-579721209 | N/A | As is | by resynthesis (? - ? days) | 
| P-862035565 | 97 | As is | 115.65 g | 
| P-870648496 | N/A | As is | in stock | 
| P-855963679 | 97 | As is | 25 g | 
| P-596572338 | 97 | As is | 25 g | 
| P-524187518 | 95 | As is | 100 g | 
| P-856007538 | 95 | As is | 100 mg | 
| P-856045742 | 90 | As is | 2 g | 
| P-31160945 | 90 | As is | 2 g | 
| P-852510432 | N/A | As is | in stock | 
| P-863708936 | 95 | As is | in stock | 
| P-885534350 | 95 | As is | by synthesis | 
| P-502330146 | 90 | As is | in stock | 
| P-22494479 | 90 | As is | 1000 mg | 
| P-906756481 | 98 | As is | by synthesis | 
| P-906772902 | 97 | As is | by synthesis | 
| P-611477973 | 90 | As is | in stock | 
| P-615406680 | 95 | As is | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 361.432 | 
| logP | 3.4929 | 
| H-bond acceptors | 4 | 
| H-bond donors | 2 | 
| Rotatable bonds | 8 | 
| PSA | 58.56 | 
| RO5 violations | 0 | 
| RO3 violations | 4 | 
| Refractivity | 104.7415 | 
| Atoms | 50 | 
| Rings | 3 | 
| Heavy atoms | 27 | 
| Hydrogen atoms | 23 | 
| Heteroatoms | 4 | 
| N/O atoms | 4 | 
| 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 | 

