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(2-Pyridyldithio) -PEG4-propargyl

CAT: 0013-GTR19226806Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226806Size:2 mg
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Description
This PEG-based linker, featuring a 2-pyridyldithio group and a propargyl terminus, is designed for constructing PROTACs. It enables the conjugation of E3 ligase ligands to target protein binders, facilitating the study of targeted protein degradation in both cellular and biochemical research contexts.
CAS Number
2170240-99-8
Field of Research
Pharmacology & Drug Discovery
Smiles
C#CCOCCOCCOCCOCCSSc1ccccn1
Molecular Formula
C16H23NO4S2
Molecular Weight
357.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2-pyridyldithio)-PEG4-propargyl
CAS Number2170240-99-8
PubChem CID131954380
IUPAC Name2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyldisulfanyl]pyridine
Molecular FormulaC16H23NO4S2
Molecular Weight357.5
XLogP1.3
Topological Polar Surface Area100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count23
Formal Charge0
Complexity312
SMILES
C#CCOCCOCCOCCOCCSSC1=CC=CC=N1
InChI
InChI=1S/C16H23NO4S2/c1-2-7-18-8-9-19-10-11-20-12-13-21-14-15-22-23-16-5-3-4-6-17-16/h1,3-6H,7-15H2
InChIKey
QSFZYWOQKSZANQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-pyridyldithio)-PEG4-propargyl
CAS: 2170240-99-8
CID: 131954380
Formula: C16H23NO4S2
MW: 357.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.5
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass357.10685056
Monoisotopic Mass357.10685056
Topological Polar Surface Area100 Ų
Heavy Atom Count23
Formal Charge0
Complexity312
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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