Diketone-PEG12-DBCO

Catalog Number	Size	Price	Quantity
R01-0332	--	$--

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Product Introduction

Diketone-PEG12-DBCO is a polyethylene glycol (PEG)-based PROTAC linker. Diketone-PEG12-DBCO can be used in the synthesis of a series of PROTACs.

Chemical Information
Purity	98%
IUPAC Name	4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[4-(3,5-dioxohexyl)anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Canonical SMILES	CC(=O)CC(=O)CCC1=CC=C(C=C1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI	InChI=1S/C58H81N3O17/c1-48(62)46-54(63)17-12-49-10-15-53(16-11-49)60-57(65)20-22-67-24-26-69-28-30-71-32-34-73-36-38-75-40-42-77-44-45-78-43-41-76-39-37-74-35-33-72-31-29-70-27-25-68-23-21-59-56(64)18-19-58(66)61-47-52-8-3-2-6-50(52)13-14-51-7-4-5-9-55(51)61/h2-11,15-16H,12,17-47H2,1H3,(H,59,64)(H,60,65)
InChI Key	HVYUYTQDCDUNKR-UHFFFAOYSA-N

Storage

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

Computed Properties
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	48
Exact Mass	1091.55659812 g/mol
Monoisotopic Mass	1091.55659812 g/mol
Topological Polar Surface Area	223Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	1670
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

Applications of Fluorescent Probes & Dyes

Laser Dye

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