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HSD17B13 degrader 2

CAT: 0013-GTR19239042-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239042-01Size:50 mg
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Description
HSD17B13 degrader 2 is a target protein ligand designed for constructing PROTAC molecules. This small molecule enables the study of HSD17B13 degradation in both cellular and animal models to investigate its role in metabolic diseases such as NAFLD.
CAS Number
3035000-69-9
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (NC (=O) C1=C (F) C (F) =C (O) C (F) =C1) [C@@H]2CC[C@@H] (N3N=C4C (=C3) C=CC (Cl) =C4) CC2
Molecular Formula
C21H19ClF3N3O2
Molecular Weight
437.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

HSD17B13 degrader 2
CAS Number3035000-69-9
PubChem CID171469234
IUPAC NameN-[[4-(6-chloroindazol-2-yl)cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
Molecular FormulaC21H19ClF3N3O2
Molecular Weight437.8
XLogP4.5
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity610
SMILES
C1CC(CCC1CNC(=O)C2=CC(=C(C(=C2F)F)O)F)N3C=C4C=CC(=CC4=N3)Cl
InChI
InChI=1S/C21H19ClF3N3O2/c22-13-4-3-12-10-28(27-17(12)7-13)14-5-1-11(2-6-14)9-26-21(30)15-8-16(23)20(29)19(25)18(15)24/h3-4,7-8,10-11,14,29H,1-2,5-6,9H2,(H,26,30)
InChIKey
VIWCQDMYRZNNBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HSD17B13 degrader 2
CAS: 3035000-69-9
CID: 171469234
Formula: C21H19ClF3N3O2
MW: 437.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.8
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass437.1117890
Monoisotopic Mass437.1117890
Topological Polar Surface Area67.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity610
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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