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CRBN ligand-567

CAT: 0013-GTR19275272-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275272-01Size:10 mg
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Description
CRBN ligand-567 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), utilized for recruiting cereblon proteins. It can be attached to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925093-05-4
Smiles
O=C (O) C1=CC (=CC=2C=NC=NC21) N3C (=O) NC (=O) CC3
Molecular Formula
C13H10N4O4
Molecular Weight
286.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-8-carboxylic acid
CAS Number2925093-05-4
PubChem CID169548743
IUPAC Name6-(2,4-dioxo-1,3-diazinan-1-yl)quinazoline-8-carboxylic acid
Molecular FormulaC13H10N4O4
Molecular Weight286.24
XLogP-0.3
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=CC3=CN=CN=C3C(=C2)C(=O)O
InChI
InChI=1S/C13H10N4O4/c18-10-1-2-17(13(21)16-10)8-3-7-5-14-6-15-11(7)9(4-8)12(19)20/h3-6H,1-2H2,(H,19,20)(H,16,18,21)
InChIKey
ZICDHCVLZIZQGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-8-carboxylic acid
CAS: 2925093-05-4
CID: 169548743
Formula: C13H10N4O4
MW: 286.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.24
XLogP3-0.3
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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