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SCR7

CAT: 0931-T3340-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T3340-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1533426-72-0
Target
DNA/RNA Synthesis, CRISPR/Cas9, Apoptosis
Related Pathways
Apoptosis, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Bioactivity
SCR7, a specific DNA Ligase IV inhibitor, blocks nonhomologous end-joining (NHEJ) .
Smiles
O=c1[nH]c(=S)[nH]c(\N=C\c2ccccc2)c1\N=C\c1ccccc1
Molecular Formula
C18H14N4OS
Molecular Weight
334.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 72708496
CAS Number1533426-72-0
PubChem CID72708496
IUPAC Name5-(benzylideneamino)-6-[(E)-benzylideneamino]-2-sulfanylidene-1H-pyrimidin-4-one
Molecular FormulaC18H14N4OS
Molecular Weight334.4
XLogP2.6
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity570
SMILES
C1=CC=C(C=C1)C=NC2=C(NC(=S)NC2=O)/N=C/C3=CC=CC=C3
InChI
InChI=1S/C18H14N4OS/c23-17-15(19-11-13-7-3-1-4-8-13)16(21-18(24)22-17)20-12-14-9-5-2-6-10-14/h1-12H,(H2,21,22,23,24)/b19-11?,20-12+
InChIKey
NEEVCWPRIZJJRJ-LWRDCAMISA-N
Chemical Structure
2D Structure
2D structure of CID 72708496
CAS: 1533426-72-0
CID: 72708496
Formula: C18H14N4OS
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass334.08883226
Monoisotopic Mass334.08883226
Topological Polar Surface Area97.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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