MCULE-9476120675-0
- 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 | 125 USD | 90 | 17 working days | Get Quote | 
| 5 mg | 148 USD | 90 | 17 working days | Get Quote | 
| 10 mg | 158 USD | 95 | 12 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.
 
- 
                    1
MCULE-5478984709-0
- Component type: Main
 
 - 
                    1
MCULE-7728164114-1
- Component type: Counter Ion
 
 
| Name | File | 
|---|---|
| SDF | MCULE-9476120675-0.sdf | 
| SMILES | MCULE-9476120675-0.smiles | 
| Standard InChI | MCULE-9476120675-0.inchi | 
| InChIKey | MCULE-9476120675-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-869403059 | 95 | As is | by synthesis | 
| P-615633745 | 95 | As is | in stock | 
| P-855215408 | 90 | As is | in stock | 
| P-894680269 | 95 | Main component | in stock | 
| P-893470663 | 90 | Main component | 4.438 g | 
| P-851661373 | N/A | Main component | by synthesis | 
| P-864248784 | 95 | Main component | by synthesis | 
| P-590865007 | 97 | Main component | by synthesis | 
| P-861346752 | 95 | Main component | by synthesis | 
| P-502530994 | 95 | Main component | by synthesis | 
| P-596572921 | 95 | Main component | 1000 mg | 
| P-601056325 | 90 | Main component | 449 mg | 
| P-14060015 | 95 | Main component | 449 mg | 
| P-852508055 | N/A | Main component | in stock | 
| P-854778282 | 95 | Main component | by synthesis | 
| Property | Value | 
|---|---|
| Components | 2 | 
| Mass | 273.758 | 
| logP | 3.0408 | 
| H-bond acceptors | 3 | 
| H-bond donors | 1 | 
| Rotatable bonds | 1 | 
| PSA | 56.4 | 
| RO5 violations | 0 | 
| RO3 violations | 1 | 
| Refractivity | 77.9017 | 
| Atoms | 30 | 
| Rings | 3 | 
| Heavy atoms | 17 | 
| Hydrogen atoms | 13 | 
| Heteroatoms | 6 | 
| N/O atoms | 3 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 2 | 
| 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 | 

