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DNP-PEG4-NHS ester

CAT: 0931-T15154-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T15154-06Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
858126-78-0
Target
PROTAC Linker
Related Pathways
PROTAC
Purity
0.9977
Bioactivity
DNP-PEG4-NHS ester is a PEG-based PROTAC linker suitable for synthesising PROTAC molecules.
Smiles
O=C(CCOCCOCCOCCOCCNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)ON2C(CCC2=O)=O
Molecular Formula
C21H28N4O12
Molecular Weight
528.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DNP-PEG4-NHS ester
CAS Number858126-78-0
PubChem CID51341007
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC21H28N4O12
Molecular Weight528.5
XLogP0.5
Topological Polar Surface Area204
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Heavy Atom Count37
Formal Charge0
Complexity756
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C21H28N4O12/c26-19-3-4-20(27)23(19)37-21(28)5-7-33-9-11-35-13-14-36-12-10-34-8-6-22-17-2-1-16(24(29)30)15-18(17)25(31)32/h1-2,15,22H,3-14H2
InChIKey
OZBOCCBKQAMCSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNP-PEG4-NHS ester
CAS: 858126-78-0
CID: 51341007
Formula: C21H28N4O12
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight528.5
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Exact Mass528.17037234
Monoisotopic Mass528.17037234
Topological Polar Surface Area204 Ų
Heavy Atom Count37
Formal Charge0
Complexity756
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