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L189

CAT: 0931-T4517-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T4517-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64232-83-3
Target
DNA/RNA Synthesis, DNA
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Purity
0.9972
Bioactivity
L189 is a human DNA ligase inhibitor, inhibits hLigI/III/IV (IC50: 5/9/5 μM) .
Smiles
Nc1[nH]c(=S)[nH]c(=O)c1N=Cc1ccccc1
Molecular Formula
C11H10N4OS
Molecular Weight
246.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(E)-6-amino-5-(benzylideneamino)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CAS Number64232-83-3
PubChem CID824710
IUPAC Name6-amino-5-(benzylideneamino)-2-sulfanylidene-1H-pyrimidin-4-one
Molecular FormulaC11H10N4OS
Molecular Weight246.29
XLogP0.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity396
SMILES
C1=CC=C(C=C1)C=NC2=C(NC(=S)NC2=O)N
InChI
InChI=1S/C11H10N4OS/c12-9-8(10(16)15-11(17)14-9)13-6-7-4-2-1-3-5-7/h1-6H,(H4,12,14,15,16,17)
InChIKey
SAKOXVNKDMWWLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (E)-6-amino-5-(benzylideneamino)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CAS: 64232-83-3
CID: 824710
Formula: C11H10N4OS
MW: 246.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.29
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass246.05753213
Monoisotopic Mass246.05753213
Topological Polar Surface Area112 Ų
Heavy Atom Count17
Formal Charge0
Complexity396
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