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Propargyl-PEG4-O-C1-NHS ester

CAT: 0931-T16630Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T16630Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1161883-51-7
Target
PROTAC Linker, Others
Related Pathways
Others, PROTAC
Bioactivity
Propargyl-PEG4-O-C1-NHS ester, also known as compound 8, is a polyethylene glycol (PEG) -based linker that serves as a reactive functional group for the synthesis of proteolysis targeting chimeras (PROTACs) .
Smiles
O=C(COCCOCCOCCOCCOCC#C)ON1C(=O)CCC1=O
Molecular Formula
C17H25NO9
Molecular Weight
387.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propargyl-PEG5-CH2CO2-NHS
CAS Number1161883-51-7
PubChem CID131709289
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]acetate
Molecular FormulaC17H25NO9
Molecular Weight387.4
XLogP-1.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count27
Formal Charge0
Complexity498
SMILES
C#CCOCCOCCOCCOCCOCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C17H25NO9/c1-2-5-22-6-7-23-8-9-24-10-11-25-12-13-26-14-17(21)27-18-15(19)3-4-16(18)20/h1H,3-14H2
InChIKey
BNRYRRHZTIDZOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG5-CH2CO2-NHS
CAS: 1161883-51-7
CID: 131709289
Formula: C17H25NO9
MW: 387.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.4
XLogP3-1.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass387.15293138
Monoisotopic Mass387.15293138
Topological Polar Surface Area110 Ų
Heavy Atom Count27
Formal Charge0
Complexity498
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-126515-01Propargyl-O-C1-amido-PEG4-C2-NHS ester
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