MCULE-1573246907-0
- 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 | 40 USD | 90 | 22 working days | Get Quote | 
| 5 mg | 58 USD | 90 | 22 working days | Get Quote | 
| 10 mg | 73 USD | 90 | 22 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-1573246907-0.sdf | 
| SMILES | MCULE-1573246907-0.smiles | 
| Standard InChI | MCULE-1573246907-0.inchi | 
| InChIKey | MCULE-1573246907-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867316082 | 95 | As is | by synthesis | 
| P-869320364 | 95 | As is | in stock | 
| P-903217311 | 95 | As is | 1000 mg | 
| P-851844017 | N/A | As is | by synthesis | 
| P-591128313 | 95 | As is | by synthesis | 
| P-901474964 | 95 | As is | by synthesis | 
| P-454756939 | 90 | As is | in stock | 
| P-607762945 | 90 | As is | 26 mg | 
| P-901648186 | 98 | As is | in stock | 
| P-34526340 | 90 | As is | in stock | 
| P-580776749 | 90 | As is | by resynthesis (? - ? days) | 
| P-580766096 | 90 | As is | in stock | 
| P-502471693 | 95 | As is | by synthesis | 
| P-502926566 | 90 | As is | in stock | 
| P-526332147 | 95 | As is | in stock | 
| P-563681155 | 95 | As is | 1000 mg | 
| P-580506595 | N/A | As is | by synthesis | 
| P-895431386 | 95 | As is | by synthesis | 
| P-26524765 | 90 | As is | 1.2 g | 
| P-525216763 | 95 | As is | 1.2 g | 
| P-596796698 | 95 | As is | by synthesis | 
| P-19450970 | 90 | As is | in stock | 
| P-502342790 | 90 | As is | in stock | 
| P-855212663 | 90 | As is | in stock | 
| P-596529046 | 90 | As is | 1000 mg | 
| P-1106718 | 90 | As is | 1000 mg | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 232.231 | 
| logP | 2.8652 | 
| H-bond acceptors | 4 | 
| H-bond donors | 1 | 
| Rotatable bonds | 4 | 
| PSA | 59.67 | 
| RO5 violations | 0 | 
| RO3 violations | 2 | 
| Refractivity | 61.6123 | 
| Atoms | 29 | 
| Rings | 2 | 
| Heavy atoms | 17 | 
| Hydrogen atoms | 12 | 
| Heteroatoms | 4 | 
| N/O atoms | 4 | 
| 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 | 

