MCULE-2273600120-0
- 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 | 7 USD | 98 | 14 working days | Get Quote | 
| 5 mg | 7 USD | 98 | 14 working days | Get Quote | 
| 10 mg | 7 USD | 98 | 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.
 
- 
                    
                    
MCULE-5071164478-0
- Component type: Main
 
 
| Name | File | 
|---|---|
| SDF | MCULE-2273600120-0.sdf | 
| SMILES | MCULE-2273600120-0.smiles | 
| Standard InChI | MCULE-2273600120-0.inchi | 
| InChIKey | MCULE-2273600120-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-875834003 | N/A | As is | in stock | 
| P-597026530 | 95 | As is | in stock | 
| P-590379420 | 98 | As is | in stock | 
| P-903211268 | 98 | As is | 5 kg | 
| P-619165509 | 98 | As is | 1.5 kg | 
| P-579785157 | 95 | As is | by resynthesis (? - ? days) | 
| P-864089126 | 97 | As is | in stock | 
| P-905498339 | N/A | As is | in stock | 
| P-851246154 | 95 | As is | by synthesis | 
| P-868556016 | 97 | As is | in stock | 
| P-580275295 | 95 | As is | by resynthesis (? - ? days) | 
| P-905361560 | 95 | As is | 130 g | 
| P-861976684 | 95 | As is | 77.579 g | 
| P-870646921 | N/A | As is | in stock | 
| P-870646922 | N/A | As is | in stock | 
| P-870654004 | N/A | As is | in stock | 
| P-856005898 | 98 | As is | 100 mg | 
| P-454344845 | 97 | As is | 2.987 g | 
| P-856006566 | 97 | As is | 100 mg | 
| P-563466890 | 97 | As is | 500 g | 
| P-524164747 | 98 | As is | 1000 g | 
| P-454414700 | 97 | As is | 2.987 g | 
| P-31248995 | 90 | As is | unavailable | 
| P-580503142 | N/A | As is | by synthesis | 
| P-852521932 | N/A | As is | in stock | 
| P-500402691 | 98 | As is | by synthesis | 
| P-885547681 | 95 | As is | by synthesis | 
| P-893994183 | 95 | As is | in stock | 
| P-893990762 | 95 | As is | in stock | 
| P-856007760 | 97 | As a main component | 100 mg | 
| P-855943700 | 95 | As a main component | 1000 mg | 
| P-524192476 | 97 | As a main component | 25 g | 
| P-895637866 | 95 | As a main component | by synthesis | 
| P-889883709 | 95 | As a main component | by synthesis | 
| P-502327073 | 90 | As a main component | in stock | 
| P-22466532 | 90 | As a main component | 350 mg | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 210.186 | 
| logP | 1.7727 | 
| H-bond acceptors | 6 | 
| H-bond donors | 2 | 
| Rotatable bonds | 4 | 
| PSA | 109.14 | 
| RO5 violations | 0 | 
| RO3 violations | 3 | 
| Refractivity | 54.3232 | 
| Atoms | 25 | 
| Rings | 1 | 
| Heavy atoms | 15 | 
| Hydrogen atoms | 10 | 
| Heteroatoms | 6 | 
| N/O atoms | 6 | 
| 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 | 

