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Antimalarial agent 24

CAT: 0013-GTR19218830-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218830-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Compound 7 (24) is a potent antimalarial research compound, inhibiting the P. falciparum W2 strain with an IC50 of 0.81 μM while showing low cytotoxicity (CC50 >200 μM in HepG2 cells) . It serves as a valuable tool for investigating novel antimalarial mechanisms in vitro and for supporting early-stage drug discovery efforts.
CAS Number
2299199-54-3
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=2C (C (=O) C=C1NCCN3C=C (N=N3) C4=CC=CC=C4) =CC=CC2
Molecular Formula
C20H16N4O2
Molecular Weight
344.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antimalarial agent 24
CAS Number2299199-54-3
PubChem CID168476126
IUPAC Name2-[2-(4-phenyltriazol-1-yl)ethylamino]naphthalene-1,4-dione
Molecular FormulaC20H16N4O2
Molecular Weight344.4
XLogP2.7
Topological Polar Surface Area76.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity570
SMILES
C1=CC=C(C=C1)C2=CN(N=N2)CCNC3=CC(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H16N4O2/c25-19-12-17(20(26)16-9-5-4-8-15(16)19)21-10-11-24-13-18(22-23-24)14-6-2-1-3-7-14/h1-9,12-13,21H,10-11H2
InChIKey
NHPSSPKUVSQOSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antimalarial agent 24
CAS: 2299199-54-3
CID: 168476126
Formula: C20H16N4O2
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass344.12732577
Monoisotopic Mass344.12732577
Topological Polar Surface Area76.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity570
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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