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ARN19874

CAT: 0931-T14321-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T14321-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2190502-57-7
Target
Phospholipase, Others
Related Pathways
Metabolism, Others
Bioactivity
ARN19874 is a selective, reversible uncompetitive inhibitor of N-acylphosphatidylethanolamine phospholipase D (NAPE-PLD) activity, with an IC50 of approximately 34 μM[1].
Smiles
O=C1C=2C(=CC=C(S(NC3=CC=C(C=C3)C=4C=CN=CC4)(=O)=O)C2)NC(=O)N1
Molecular Formula
C19H14N4O4S
Molecular Weight
394.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arn19874
CAS Number2190502-57-7
PubChem CID139035039
IUPAC Name2,4-dioxo-N-(4-pyridin-4-ylphenyl)-1H-quinazoline-6-sulfonamide
Molecular FormulaC19H14N4O4S
Molecular Weight394.4
XLogP1.5
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity693
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O
InChI
InChI=1S/C19H14N4O4S/c24-18-16-11-15(5-6-17(16)21-19(25)22-18)28(26,27)23-14-3-1-12(2-4-14)13-7-9-20-10-8-13/h1-11,23H,(H2,21,22,24,25)
InChIKey
OPBGIIQHYNFABO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arn19874
CAS: 2190502-57-7
CID: 139035039
Formula: C19H14N4O4S
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass394.07357611
Monoisotopic Mass394.07357611
Topological Polar Surface Area126 Ų
Heavy Atom Count28
Formal Charge0
Complexity693
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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