DBCO-PEG9-amine

What We Offer

DBCO-PEG9-amine

DBCO-PEG9-amine | 2353409-99-9

Catalog Number R01-0402
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₃₉H₅₇N₃O₁₁
Molecular Weight 743.88
Catalog Number Size Price Quantity
R01-0402 -- $--

Product Introduction

DBCO-PEG9-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG9-amine can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms DBCO-PEG9-amine TFA salt
Purity 98%
IUPAC Name N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI InChI=1S/C39H57N3O11/c40-13-15-45-17-19-47-21-23-49-25-27-51-29-31-53-32-30-52-28-26-50-24-22-48-20-18-46-16-14-41-38(43)11-12-39(44)42-33-36-7-2-1-5-34(36)9-10-35-6-3-4-8-37(35)42/h1-8H,11-33,40H2,(H,41,43)
InChI Key ONUWAJBCFPYIFM-UHFFFAOYSA-N
Solubility In DMSO: 100 mg/mL (134.43 mM; Need ultrasonic)
  • Product Specification
Storage -20°C, protect from light; In solvent, -80°C, 6 months; -20°C, 1 month (protect from light)

Computed Properties

XLogP3 -0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 32
Exact Mass 743.39930964 g/mol
Monoisotopic Mass 743.39930964 g/mol
Topological Polar Surface Area 159Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1010
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
cartIcon
Inquiry Basket