MCULE-2573418500-0
- 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 | 80 USD | 90 | 21 working days | Get Quote | 
| 10 mg | 96 USD | 90 | 21 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-2573418500-0.sdf | 
| SMILES | MCULE-2573418500-0.smiles | 
| Standard InChI | MCULE-2573418500-0.inchi | 
| InChIKey | MCULE-2573418500-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-4028835 | 90 | As is | 10 mg | 
| P-6779466 | 90 | As is | 121 mg | 
| P-502923281 | 90 | As is | in stock | 
| P-26369143 | 90 | As is | 50 mg | 
| P-19362128 | 90 | As is | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 350.324 | 
| logP | 2.5385 | 
| H-bond acceptors | 7 | 
| H-bond donors | 1 | 
| Rotatable bonds | 3 | 
| PSA | 88.85 | 
| RO5 violations | 0 | 
| RO3 violations | 3 | 
| Refractivity | 98.4182 | 
| Atoms | 40 | 
| Rings | 4 | 
| Heavy atoms | 26 | 
| Hydrogen atoms | 14 | 
| Heteroatoms | 7 | 
| N/O atoms | 7 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| 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 | 

