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Lenalidomide 5'-piperazine-7'-methoxy

CAT: 0013-GTR19257902Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257902Size:25 mg
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Description
Lenalidomide 5'-piperazine-7'-methoxy is a functional ligand for brain nuclei used in PROTAC research; it includes an E3 ligand with a terminal piperazine to create protein degraders featuring a rigid linker.
CAS Number
2242743-87-7
Field of Research
Pharmacology & Drug Discovery
Smiles
Cl.O=C1NC (=O) C (N2C (=O) C3=C (OC) C=C (C=C3C2) N4CCNCC4) CC1
Molecular Formula
C18H23ClN4O4
Molecular Weight
394.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(7-Methoxy-1-oxo-5-(piperazin-1-yl)isoindolin-2-yl)piperidine-2,6-dione hydrochloride
CAS Number2242743-87-7
PubChem CID146173390
IUPAC Name3-(4-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
Molecular FormulaC18H23ClN4O4
Molecular Weight394.9
Topological Polar Surface Area91
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity592
SMILES
COC1=CC(=CC2=C1C(=O)N(C2)C3CCC(=O)NC3=O)N4CCNCC4.Cl
InChI
InChI=1S/C18H22N4O4.ClH/c1-26-14-9-12(21-6-4-19-5-7-21)8-11-10-22(18(25)16(11)14)13-2-3-15(23)20-17(13)24;/h8-9,13,19H,2-7,10H2,1H3,(H,20,23,24);1H
InChIKey
CDDVRWUWIZZRJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(7-Methoxy-1-oxo-5-(piperazin-1-yl)isoindolin-2-yl)piperidine-2,6-dione hydrochloride
CAS: 2242743-87-7
CID: 146173390
Formula: C18H23ClN4O4
MW: 394.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass394.1407829
Monoisotopic Mass394.1407829
Topological Polar Surface Area91 Ų
Heavy Atom Count27
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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