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E3 Ligand-Linker Conjugate 3

CAT: 1410-M12726Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M12726Size:1 Each
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Description
An E3 ligase ligand-linker conjugate for PROTAC.
CAS Number
1799711-24-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
402.407
Molecular Formula
C19H22N4O6
Notes
Research use only, not for human use.
Receptor
E3 Ligase Ligand

Chemical Information

N-(4-aminobutyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide
CAS Number1799711-24-2
PubChem CID121410951
IUPAC NameN-(4-aminobutyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Molecular FormulaC19H22N4O6
Molecular Weight402.4
XLogP-0.8
Topological Polar Surface Area148
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity696
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCN
InChI
InChI=1S/C19H22N4O6/c20-8-1-2-9-21-15(25)10-29-13-5-3-4-11-16(13)19(28)23(18(11)27)12-6-7-14(24)22-17(12)26/h3-5,12H,1-2,6-10,20H2,(H,21,25)(H,22,24,26)
InChIKey
CPMVDDVEZUNCJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-aminobutyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide
CAS: 1799711-24-2
CID: 121410951
Formula: C19H22N4O6
MW: 402.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass402.15393443
Monoisotopic Mass402.15393443
Topological Polar Surface Area148 Ų
Heavy Atom Count29
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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