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CRBN ligand-699

CAT: 0013-GTR19276518-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276518-01Size:50 mg
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Description
CRBN ligand-699 is a cereblon (CRBN) E3 ubiquitin ligase ligand used for recruiting cereblon proteins. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925074-73-1
Smiles
O=C1NC (=O) CCN1C2=CC=C3C (=O) N (CC3=C2) CCN
Molecular Formula
C14H16N4O3
Molecular Weight
288.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[2-(2-aminoethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-1,3-diazinane-2,4-dione
CAS Number2925074-73-1
PubChem CID169548787
IUPAC Name1-[2-(2-aminoethyl)-1-oxo-3H-isoindol-5-yl]-1,3-diazinane-2,4-dione
Molecular FormulaC14H16N4O3
Molecular Weight288.30
XLogP-1.3
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity467
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C=C2)C(=O)N(C3)CCN
InChI
InChI=1S/C14H16N4O3/c15-4-6-17-8-9-7-10(1-2-11(9)13(17)20)18-5-3-12(19)16-14(18)21/h1-2,7H,3-6,8,15H2,(H,16,19,21)
InChIKey
AFEDMCVXOFTYGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(2-aminoethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-1,3-diazinane-2,4-dione
CAS: 2925074-73-1
CID: 169548787
Formula: C14H16N4O3
MW: 288.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.30
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass288.12224039
Monoisotopic Mass288.12224039
Topological Polar Surface Area95.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity467
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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