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CRBN ligand-589

CAT: 0013-GTR19276727-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276727-01Size:50 mg
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Description
CRBN ligand-589 is an E3 ubiquitin ligase cereblon (CRBN) ligand utilized for recruiting cereblon protein. By attaching to a target protein ligand via a linker, CRBN ligand-589 can form a PROTAC.
CAS Number
2925081-29-2
Smiles
O=C (O) C1=NC=NC2=C1C=CC=C2N3C (=O) NC (=O) CC3
Molecular Formula
C13H10N4O4
Molecular Weight
286.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-4-carboxylic acid
CAS Number2925081-29-2
PubChem CID169548741
IUPAC Name8-(2,4-dioxo-1,3-diazinan-1-yl)quinazoline-4-carboxylic acid
Molecular FormulaC13H10N4O4
Molecular Weight286.24
XLogP0.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity469
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=C2N=CN=C3C(=O)O
InChI
InChI=1S/C13H10N4O4/c18-9-4-5-17(13(21)16-9)8-3-1-2-7-10(8)14-6-15-11(7)12(19)20/h1-3,6H,4-5H2,(H,19,20)(H,16,18,21)
InChIKey
POZXOGGGJRMKHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-4-carboxylic acid
CAS: 2925081-29-2
CID: 169548741
Formula: C13H10N4O4
MW: 286.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.24
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass286.07020481
Monoisotopic Mass286.07020481
Topological Polar Surface Area112 Ų
Heavy Atom Count21
Formal Charge0
Complexity469
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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