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L189

CAT: 0607-B7426-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7426-50Size:50 mg
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Description
inhibitor of human DNA ligases I, III and IV
CAS Number
64232-83-3
Product Name Alternative
(Z)-6-amino-5-(benzylideneamino)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Field of Research
DNA Damage DNA Repair DNA Ligases
Purity
0.98
Form
A solid
Solubility
≥62.5 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
S=C(NC1=O)NC(N)=C1/N=C\C2=CC=CC=C2
Molecular Formula
C11H10N4OS
Molecular Weight
246.29
Shipping Conditions
Blue ice
Storage Conditions
Store at -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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
406715L189
A15790-100L189 100mg
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A15790-25L189 25mg
A15790-10L189 10mg
A15790-50L189 50mg
A15790-2L189 2mg
A15790-10mM-DL189 10mM * 1mL in DMSO
MBS1478785-01Recombinant Acanthamoeba polyphaga mimivirus Uncharacterized protein L189 (MIMI_L189)

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