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E3 Ligand-Linker Conjugate 7

CAT: 1410-M13148Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M13148Size:1 Each
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Description
An E3 ligase ligand-linker conjugate for PROTAC.
CAS Number
2022182-59-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
418.406
Molecular Formula
C19H22N4O7
Notes
Research use only, not for human use.
Receptor
E3 Ligase Ligand

Chemical Information

N-(2-(2-Aminoethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide
CAS Number2022182-59-6
PubChem CID135397675
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Molecular FormulaC19H22N4O7
Molecular Weight418.4
XLogP-1.6
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity713
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCN
InChI
InChI=1S/C19H22N4O7/c20-6-8-29-9-7-21-15(25)10-30-13-3-1-2-11-16(13)19(28)23(18(11)27)12-4-5-14(24)22-17(12)26/h1-3,12H,4-10,20H2,(H,21,25)(H,22,24,26)
InChIKey
YOTCFDNGMVCDIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2-Aminoethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide
CAS: 2022182-59-6
CID: 135397675
Formula: C19H22N4O7
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass418.14884905
Monoisotopic Mass418.14884905
Topological Polar Surface Area157 Ų
Heavy Atom Count30
Formal Charge0
Complexity713
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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