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CRBN ligand-547

CAT: 0013-GTR19275584-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275584-01Size:50 mg
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Description
CRBN ligand-547 is an E3 ubiquitin ligase cereblon (CRBN) ligand that facilitates the recruitment of cereblon protein. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2446913-88-6
Smiles
O=C1NC (=O) CCN1C2=NN (C=3C=C (Br) C=CC23) C
Molecular Formula
C12H11BrN4O2
Molecular Weight
323.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(6-Bromo-1-methyl-1H-indazol-3-yl)dihydropyrimidine-2,4(1H,3H)-dione
CAS Number2446913-88-6
PubChem CID147574397
IUPAC Name1-(6-bromo-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15
XLogP1.3
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity405
SMILES
CN1C2=C(C=CC(=C2)Br)C(=N1)N3CCC(=O)NC3=O
InChI
InChI=1S/C12H11BrN4O2/c1-16-9-6-7(13)2-3-8(9)11(15-16)17-5-4-10(18)14-12(17)19/h2-3,6H,4-5H2,1H3,(H,14,18,19)
InChIKey
FVEJZRXMQPIZQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-Bromo-1-methyl-1H-indazol-3-yl)dihydropyrimidine-2,4(1H,3H)-dione
CAS: 2446913-88-6
CID: 147574397
Formula: C12H11BrN4O2
MW: 323.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight323.15
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass322.00654
Monoisotopic Mass322.00654
Topological Polar Surface Area67.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity405
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