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CRBN ligand-628

CAT: 0013-GTR19276612-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276612-01Size:50 mg
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Description
CRBN ligand-628 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), utilized to recruit cereblon proteins. Through a linker, CRBN ligand-628 can attach to a target protein ligand to form a PROTAC.
CAS Number
2925095-67-4
Smiles
O=C (O) C1=CN=CC2=CC=C (C=C21) N3C (=O) NC (=O) CC3
Molecular Formula
C14H11N3O4
Molecular Weight
285.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(2,4-Dioxo-1,3-diazinan-1-yl)isoquinoline-4-carboxylic acid
CAS Number2925095-67-4
PubChem CID169548693
IUPAC Name6-(2,4-dioxo-1,3-diazinan-1-yl)isoquinoline-4-carboxylic acid
Molecular FormulaC14H11N3O4
Molecular Weight285.25
XLogP0.3
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity467
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C=NC=C3C=C2)C(=O)O
InChI
InChI=1S/C14H11N3O4/c18-12-3-4-17(14(21)16-12)9-2-1-8-6-15-7-11(13(19)20)10(8)5-9/h1-2,5-7H,3-4H2,(H,19,20)(H,16,18,21)
InChIKey
IYZNNTGWEPRWNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,4-Dioxo-1,3-diazinan-1-yl)isoquinoline-4-carboxylic acid
CAS: 2925095-67-4
CID: 169548693
Formula: C14H11N3O4
MW: 285.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.25
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass285.07495584
Monoisotopic Mass285.07495584
Topological Polar Surface Area99.6 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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