| CAS Number | 2123489-30-3 |
| Catalog Number | AG01EO4A(AGN-PC-3H466C) |
| Chemical Name | WNK-IN-11 |
| IUPAC Name | [5-chloro-2-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-4-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone |
| InChI | InChI=1S/C21H21Cl2N5OS/c1-24-21-26-19(13-30-21)18-10-16(17(23)11-25-18)20(29)28-8-6-27(7-9-28)12-14-2-4-15(22)5-3-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,26) |
| InChI Key | MVXAYIXYYOVALX-UHFFFAOYSA-N |
| MDL Number | MFCD31715426 |
| Molecular Formula | C21H21Cl2N5OS |
| Molecular Weight | 462.3953 |
| SMILES | O=C(C1=CC(C2=CSC(NC)=N2)=NC=C1Cl)N3CCN(CC4=CC=C(Cl)C=C4)CC3 |
| Synonyms | WNK-IN-11,
2123489-30-3,
(5-Chloro-2-(2-(methylamino)thiazol-4-yl)pyridin-4-yl)(4-(4-chlorobenzyl)piperazin-1-yl)methanone,
WNK Inhibitor 11,
CHEMBL4088706,
HY-112094,
CS-0043339,
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| Complexity | 572 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 461.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 462.393g/mol |
| Monoisotopic Mass | 461.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number