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Propargyl-PEG4-S-PEG4-acid

CAT: 0931-T18583-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18583-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055041-20-6
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
Propargyl-PEG4-S-PEG4-acid, a polyethylene glycol (PEG) -based PROTAC linker, is suitable for synthesizing Proteolysis Targeting Chimera (PROTACs) [1].
Smiles
O=C(O)CCOCCOCCOCCOCCSCCOCCOCCOCCOCC#C
Molecular Formula
C22H40O10S
Molecular Weight
496.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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HY-140597Propargyl-PEG4-S-PEG4-acid
MBS5771444Propargyl-PEG4-S-PEG4-propargyl
HY-140599Propargyl-PEG4-S-PEG4-Boc
MBS5771445Propargyl-PEG4-Sulfone-PEG4-acid
571650Propargyl-PEG4-acid
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