PEP azide | 1807521-02-3

Product Introduction

Phenylethynylpyrene (PEP) fluorophore is a polyaromatic hydrocarbon label with high sensitivity to microenvironment. Similarly to pyrene, PEP dye readily forms excimers. However, PEP fluorescence is more red-shifted,PEP can be used as microenvironment probe, and as a label for assays based on excimer formation.,This reagent contains triethyleneglycol linker to facilitate dissolution of non-polar PEP dye in organo-aqueous labeling reaction mixtures. With this azide, and Click Chemistry, it is easy to turn any molecule bearing alkyne into PEP-labeled probe.

Chemical Information
Purity	NMR 1H (95%)
IUPAC Name	N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-4-[4-(2-pyren-2-ylethynyl)phenyl]butanamide
Canonical SMILES	C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)C#CC5=CC=C(C=C5)CCCC(=O)NCCOCCOCCN=[N+]=[N-])C=C2
InChI	InChI=1S/C34H32N4O3/c35-38-37-18-20-41-22-21-40-19-17-36-32(39)6-1-3-25-7-9-26(10-8-25)11-12-27-23-30-15-13-28-4-2-5-29-14-16-31(24-27)34(30)33(28)29/h2,4-5,7-10,13-16,23-24H,1,3,6,17-22H2,(H,36,39)
InChI Key	SUCRAUNHFQZTRB-UHFFFAOYSA-N
Solubility	Soluble in dichloromethane, chloroform, moderately Soluble in DMSO, DMF, acetonitrile
Appearance	Off white / Yellowish solid

Computed Properties
XLogP3	7.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Exact Mass	544.24744090 g/mol
Monoisotopic Mass	544.24744090 g/mol
Topological Polar Surface Area	61.9Ų
Heavy Atom Count	41
Formal Charge	0
Complexity	918
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