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WNK-IN-11

CAT: 1568-C06950-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C06950-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2123489-30-3
SKU
C06950-5mg
Target
Serine/threonin kinase
Applications
Cell Cycle
Smiles
CNC1=NC (=CS1) C2=NC=C (C (=C2) C (=O) N3CCN (CC3) CC4=CC=C (C=C4) Cl) Cl
Molecular Formula
C21H21Cl2N5OS
Additionnal Information
WNK-IN-11 is a potent, selective, and orally acitve allosteric inhibitor of With-No-Lysine (WNK) kinase with IC50 of 4 nM for WNK1 enzyme.
Storage Conditions
3 years -20°C powder

Chemical Information

Wnk-IN-11
CAS Number2123489-30-3
PubChem CID133080583
IUPAC Name[5-chloro-2-[2-(methylamino)-1,3-thiazol-4-yl]-4-pyridinyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
Molecular FormulaC21H21Cl2N5OS
Molecular Weight462.4
XLogP3.9
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity572
SMILES
CNC1=NC(=CS1)C2=NC=C(C(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl)Cl
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)
InChIKey
MVXAYIXYYOVALX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Wnk-IN-11
CAS: 2123489-30-3
CID: 133080583
Formula: C21H21Cl2N5OS
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass461.0843869
Monoisotopic Mass461.0843869
Topological Polar Surface Area89.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity572
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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