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CRBN ligand-448

CAT: 0013-GTR19276312-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276312-01Size:10 mg
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Description
CRBN ligand-448 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), used for recruiting the cereblon protein. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925093-08-7
Smiles
O=CC=1N=CC2=CC=C (C=C2N1) N3C (=O) NC (=O) CC3
Molecular Formula
C13H10N4O3
Molecular Weight
270.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-2-carbaldehyde
CAS Number2925093-08-7
PubChem CID169548596
IUPAC Name7-(2,4-dioxo-1,3-diazinan-1-yl)quinazoline-2-carbaldehyde
Molecular FormulaC13H10N4O3
Molecular Weight270.24
XLogP0
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity428
SMILES
C1CN(C(=O)NC1=O)C2=CC3=NC(=NC=C3C=C2)C=O
InChI
InChI=1S/C13H10N4O3/c18-7-11-14-6-8-1-2-9(5-10(8)15-11)17-4-3-12(19)16-13(17)20/h1-2,5-7H,3-4H2,(H,16,19,20)
InChIKey
XJIAGJOHFOTHSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-2-carbaldehyde
CAS: 2925093-08-7
CID: 169548596
Formula: C13H10N4O3
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass270.07529019
Monoisotopic Mass270.07529019
Topological Polar Surface Area92.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity428
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