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Propargyl-PEG4-S-PEG4-acid

CAT: 0013-GTR19225064-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225064-01Size:100 mg
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Description
Propargyl-PEG4-S-PEG4-acid is a bifunctional polyethylene glycol linker used in constructing PROTAC molecules for targeted protein degradation. This flexible, water-soluble spacer is applicable in both in vitro biochemical assays and in vivo proof-of-concept studies to enhance PROTAC efficacy and pharmacokinetics.
CAS Number
2055041-20-6
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (O) CCOCCOCCOCCOCCSCCOCCOCCOCCOCC#C
Molecular Formula
C22H40O10S
Molecular Weight
496.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Propargyl-PEG4-S-PEG4-acid
CAS Number2055041-20-6
PubChem CID119058250
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC22H40O10S
Molecular Weight496.6
XLogP-0.7
Topological Polar Surface Area136
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count28
Heavy Atom Count33
Formal Charge0
Complexity458
SMILES
C#CCOCCOCCOCCOCCSCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C22H40O10S/c1-2-4-25-6-8-27-10-12-29-14-16-31-18-20-33-21-19-32-17-15-30-13-11-28-9-7-26-5-3-22(23)24/h1H,3-21H2,(H,23,24)
InChIKey
QVWMBQWXZOTYHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG4-S-PEG4-acid
CAS: 2055041-20-6
CID: 119058250
Formula: C22H40O10S
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count28
Exact Mass496.23421864
Monoisotopic Mass496.23421864
Topological Polar Surface Area136 Ų
Heavy Atom Count33
Formal Charge0
Complexity458
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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