N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) | 2112732-01-9

Catalog Number	R01-0085
Category	Alkynes
Molecular Formula	C₂₄H₄₁NO₁₁
Molecular Weight	519.58

Catalog Number	Size	Price	Quantity
R01-0085	--	$--

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Product Introduction

N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) can be used in the synthesis of a series of PROTACs.

Chemical Information
Synonyms	N-(PROPARGYL-PEG4-CARBONYL)-N-BIS(PEG1-METHYLESTER); 4,11,14,17,20-Pentaoxa-7-azatricos-22-ynoic acid, 7-[2-(3-methoxy-3-oxopropoxy)ethyl]-8-oxo-, methyl ester; methyl 17-(2-(3-methoxy-3-oxopropoxy)ethyl)-16-oxo-4,7,10,13,20-pentaoxa-17-azatricos-1-yn-23-oate; methyl 3-(2-{N-[2-(3-methoxy-3-oxopropoxy)ethyl]-4,7,10,13-tetraoxahexadec-15-ynamido}ethoxy)propanoate
Purity	98%
IUPAC Name	methyl 3-[2-[2-(3-methoxy-3-oxopropoxy)ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]propanoate
Canonical SMILES	COC(=O)CCOCCN(CCOCCC(=O)OC)C(=O)CCOCCOCCOCCOCC#C
InChI	InChI=1S/C24H41NO11/c1-4-10-31-16-18-35-20-21-36-19-17-34-11-5-22(26)25(8-14-32-12-6-23(27)29-2)9-15-33-13-7-24(28)30-3/h1H,5-21H2,2-3H3
InChI Key	JCIALVYXFZVDJH-UHFFFAOYSA-N

Product Specification

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties
XLogP3	-1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	27
Exact Mass	519.26796112 g/mol
Monoisotopic Mass	519.26796112 g/mol
Topological Polar Surface Area	128Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	594
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes