MCULE-1844779047-0
- 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 | 6 USD | 98 | 14 working days | Get Quote | 
| 5 mg | 6 USD | 98 | 14 working days | Get Quote | 
| 10 mg | 6 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.
| Name | File | 
|---|---|
| SDF | MCULE-1844779047-0.sdf | 
| SMILES | MCULE-1844779047-0.smiles | 
| Standard InChI | MCULE-1844779047-0.inchi | 
| InChIKey | MCULE-1844779047-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-901284993 | N/A | As is | in stock | 
| P-869181428 | 95 | As is | in stock | 
| P-505397922 | 98 | As is | in stock | 
| P-903209826 | 98 | As is | 10.5 kg | 
| P-893520407 | 90 | As is | 21.9078 kg | 
| P-580234162 | 95 | As is | by synthesis | 
| P-868819819 | N/A | As is | in stock | 
| P-489117902 | 97 | As is | in stock | 
| P-900249420 | 98 | As is | 10 kg | 
| P-895930387 | 95 | As is | by resynthesis (? - ? days) | 
| P-866725886 | 95 | As is | 167.4 g | 
| P-864102844 | 98 | As is | in stock | 
| P-481176120 | 95 | As is | 194 g | 
| P-868584722 | 97 | As is | in stock | 
| P-580428486 | 95 | As is | by resynthesis (? - ? days) | 
| P-905334719 | 97 | As is | 60 g | 
| P-905371229 | 97 | As is | 10.1195 kg | 
| P-454392014 | 97 | As is | 100 g | 
| P-454299537 | 97 | As is | 100 mg | 
| P-579613580 | 97 | As is | 250 g | 
| P-31276946 | 90 | As is | 10 g | 
| P-856039664 | 90 | As is | 10 g | 
| P-613284922 | 95 | As is | by synthesis | 
| P-580513747 | 98 | As is | 948 g | 
| P-852454464 | N/A | As is | in stock | 
| P-492279809 | 97 | As is | 1000 mg | 
| P-34030672 | 90 | As is | 1000 mg | 
| P-888861319 | N/A | As is | in stock | 
| P-885559928 | 95 | As is | by synthesis | 
| P-519933451 | 90 | As is | in stock | 
| P-613814141 | 95 | As is | in stock | 
| P-498676783 | 97 | As is | 7.01954 kg | 
| P-906905955 | 98 | As is | in stock | 
| P-906830405 | 95 | As is | by synthesis | 
| P-906847208 | 97 | As is | by synthesis | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 82.100 | 
| logP | 0.9055 | 
| H-bond acceptors | 1 | 
| H-bond donors | 0 | 
| Rotatable bonds | 0 | 
| PSA | 17.07 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 23.761 | 
| Atoms | 12 | 
| Rings | 1 | 
| Heavy atoms | 6 | 
| Hydrogen atoms | 6 | 
| Heteroatoms | 1 | 
| N/O atoms | 1 | 
| 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 | 

