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PolQi2

CAT: 0931-T84770-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84770-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2565638-16-4
Target
DNA/RNA Synthesis
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Purity
0.9919
Bioactivity
PolQi2 is a Polθ inhibitor that suppresses the helicase activity of Polθ. It can be combined with AZD7648 to enhance HDR-mediated integration and editing accuracy.
Smiles
O=C(NC1=NN=C(OCC2=NC=C(Cl)C=C2)S1)C3=CC=NC=C3C=4C=CC=CC4OC
Molecular Formula
C21H16ClN5O3S
Molecular Weight
453.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PolQi2
CAS Number2565638-16-4
PubChem CID155353937
IUPAC NameN-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
Molecular FormulaC21H16ClN5O3S
Molecular Weight453.9
XLogP3.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity591
SMILES
COC1=CC=CC=C1C2=C(C=CN=C2)C(=O)NC3=NN=C(S3)OCC4=NC=C(C=C4)Cl
InChI
InChI=1S/C21H16ClN5O3S/c1-29-18-5-3-2-4-15(18)17-11-23-9-8-16(17)19(28)25-20-26-27-21(31-20)30-12-14-7-6-13(22)10-24-14/h2-11H,12H2,1H3,(H,25,26,28)
InChIKey
REZMONWROTVQHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PolQi2
CAS: 2565638-16-4
CID: 155353937
Formula: C21H16ClN5O3S
MW: 453.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.9
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass453.0662383
Monoisotopic Mass453.0662383
Topological Polar Surface Area127 Ų
Heavy Atom Count31
Formal Charge0
Complexity591
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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