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CRBN ligand-708

CAT: 0013-GTR19276331-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276331-01Size:50 mg
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Description
CRBN ligand-708 is an E3 ubiquitin ligase cereblon (CRBN) ligand designed to recruit cereblon protein. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925094-42-2
Smiles
O=C1NC (=O) C (N2N=C3C (Br) =CC=CN3C2=O) CC1
Molecular Formula
C11H9BrN4O3
Molecular Weight
325.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-{8-bromo-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CAS Number2925094-42-2
PubChem CID169449156
IUPAC Name3-(8-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12
XLogP0.4
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity580
SMILES
C1CC(=O)NC(=O)C1N2C(=O)N3C=CC=C(C3=N2)Br
InChI
InChI=1S/C11H9BrN4O3/c12-6-2-1-5-15-9(6)14-16(11(15)19)7-3-4-8(17)13-10(7)18/h1-2,5,7H,3-4H2,(H,13,17,18)
InChIKey
VBTMQBNUTLPDHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{8-bromo-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CAS: 2925094-42-2
CID: 169449156
Formula: C11H9BrN4O3
MW: 325.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.12
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass323.98580
Monoisotopic Mass323.98580
Topological Polar Surface Area82.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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