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DHX9-IN-14

CAT: 0931-T86195-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T86195-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2973747-90-7
Target
DNA/RNA Synthesis
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
DHX9-IN-14 (161), an RNA helicase DHX9 inhibitor, has an EC50 of 3.4 μM in DHX9 cellular target engagement and is utilized in cancer research [1].
Smiles
CN1C(=CC(C(NC2=CC(NS(C)(=O)=O)=CC=C2)=O)=C1)C3=C(F)C=C(F)C=N3
Molecular Formula
C18H16F2N4O3S
Molecular Weight
406.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dhx9-IN-14
CAS Number2973747-90-7
PubChem CID170131086
IUPAC Name5-(3,5-difluoro-2-pyridinyl)-N-[3-(methanesulfonamido)phenyl]-1-methylpyrrole-3-carboxamide
Molecular FormulaC18H16F2N4O3S
Molecular Weight406.4
XLogP1.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity660
SMILES
CN1C=C(C=C1C2=C(C=C(C=N2)F)F)C(=O)NC3=CC(=CC=C3)NS(=O)(=O)C
InChI
InChI=1S/C18H16F2N4O3S/c1-24-10-11(6-16(24)17-15(20)7-12(19)9-21-17)18(25)22-13-4-3-5-14(8-13)23-28(2,26)27/h3-10,23H,1-2H3,(H,22,25)
InChIKey
PDIYXUZQZQCTEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dhx9-IN-14
CAS: 2973747-90-7
CID: 170131086
Formula: C18H16F2N4O3S
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass406.09111788
Monoisotopic Mass406.09111788
Topological Polar Surface Area101 Ų
Heavy Atom Count28
Formal Charge0
Complexity660
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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