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E3 ligase Ligand 64

CAT: 0931-T207279-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T207279-01Size:10 mg
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CAS Number
2760850-50-6
Target
Ligand for E3 Ligase
Related Pathways
PROTAC
Bioactivity
E3ligaseLigand 64 is a ligand for E3 ligase, useful in the synthesis of RP03707.
Smiles
O=C1NC(=O)CCN1C2=NN(C=3C=C(Br)C(F)=CC23)C
Molecular Formula
C12H10BrFN4O2
Molecular Weight
341.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(6-bromo-5-fluoro-1-methyl-1H-indazol-3-yl)-1,3-diazinane-2,4-dione
CAS Number2760850-50-6
PubChem CID162726296
IUPAC Name1-(6-bromo-5-fluoro-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H10BrFN4O2
Molecular Weight341.14
XLogP1.4
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity438
SMILES
CN1C2=CC(=C(C=C2C(=N1)N3CCC(=O)NC3=O)F)Br
InChI
InChI=1S/C12H10BrFN4O2/c1-17-9-5-7(13)8(14)4-6(9)11(16-17)18-3-2-10(19)15-12(18)20/h4-5H,2-3H2,1H3,(H,15,19,20)
InChIKey
KFKVWUYFOMKILO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-bromo-5-fluoro-1-methyl-1H-indazol-3-yl)-1,3-diazinane-2,4-dione
CAS: 2760850-50-6
CID: 162726296
Formula: C12H10BrFN4O2
MW: 341.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.14
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass339.99712
Monoisotopic Mass339.99712
Topological Polar Surface Area67.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity438
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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