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DBCO-PEG4-amine

CAT: 0931-T15068-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T15068-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1840886-10-3
Target
PROTAC Linker, ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related, PROTAC
Bioactivity
DBCO-PEG4-amine is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) . DBCO-PEG4-amine can be used in the synthesis of FPM-PEG4-DBCO (a homobifunctional azide-to-azide cross-linker) [1].
Smiles
O=C(NCCOCCOCCOCCOCCN)CCC(=O)N1C=2C=CC=CC2C#CC=3C=CC=CC3C1
Molecular Formula
C29H37N3O6
Molecular Weight
523.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DBCO-PEG4-amine
CAS Number1840886-10-3
PubChem CID77078150
IUPAC NameN-[2-[2-[2-[2-(2-aminoethoxy)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
Molecular FormulaC29H37N3O6
Molecular Weight523.6
XLogP0.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count38
Formal Charge0
Complexity766
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCN
InChI
InChI=1S/C29H37N3O6/c30-13-15-35-17-19-37-21-22-38-20-18-36-16-14-31-28(33)11-12-29(34)32-23-26-7-2-1-5-24(26)9-10-25-6-3-4-8-27(25)32/h1-8H,11-23,30H2,(H,31,33)
InChIKey
NFJQULPXXATMFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG4-amine
CAS: 1840886-10-3
CID: 77078150
Formula: C29H37N3O6
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass523.26823591
Monoisotopic Mass523.26823591
Topological Polar Surface Area112 Ų
Heavy Atom Count38
Formal Charge0
Complexity766
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BA2540-5DBCO-PEG4-amine
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4534-AATDBCO PEG4 Amine
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