DBCO-N-bis(PEG4-NHS ester)

Catalog Number	R01-0076
Category	Alkynes
Molecular Formula	C49H62N4O18
Molecular Weight	995.1

Catalog Number	Size	Price	Quantity
R01-0076	--	$--

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Product Introduction

DBCO-N-bis(PEG4-NHS ester) is a click chemistry crosslinker with two NHS ester groups. The NHS active esters can be used to label the primary amines (-NH2) of proteins and other amine-containing molecules.The DBCO group is very reactive with azide molecule via copper-free Click Chemistry.

Chemical Information
Purity	95%
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES	C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)C(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53
InChI	InChI=1S/C49H62N4O18/c54-42(11-12-43(55)51-37-40-7-2-1-5-38(40)9-10-39-6-3-4-8-41(39)51)50(19-23-64-27-31-68-35-33-66-29-25-62-21-17-48(60)70-52-44(56)13-14-45(52)57)20-24-65-28-32-69-36-34-67-30-26-63-22-18-49(61)71-53-46(58)15-16-47(53)59/h1-8H,11-37H2
InChI Key	LTXDZCUWVWVRMS-UHFFFAOYSA-N
Solubility	DMSO, DCM, DMF

Product Specification

Storage

-20 °C

Computed Properties
XLogP3	-1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	37
Exact Mass	994.40591114 g/mol
Monoisotopic Mass	994.40591114 g/mol
Topological Polar Surface Area	242Å²
Heavy Atom Count	71
Formal Charge	0
Complexity	1690
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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DBCO-N-bis(PEG4-NHS ester)

Product Introduction

Chemical Information

Computed Properties