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Anti-infective agent 2

CAT: 0931-T60465-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60465-01Size:25 mg
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CAS Number
2521629-84-3
Target
Others, Parasite, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Anti-infective agent 2 (compound 3k) is an antiprotozoal and antimycobacterial agent. It exhibits antiparasitic activity against P. falciparum and T. brucei rhodesiense, with IC50 values of 0.07 and 2.20 μM, respectively, and shows antimycobacterial activity against Mycobacterium smegmatis with a MIC of 32 μg/mL [1].
Smiles
O=C1C(=CC(=O)C=2C1=CC=CC2)C=3C=CC(Cl)=NC3
Molecular Formula
C15H8ClNO2
Molecular Weight
269.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anti-infective agent 2
CAS Number2521629-84-3
PubChem CID162643643
IUPAC Name2-(6-chloro-3-pyridinyl)naphthalene-1,4-dione
Molecular FormulaC15H8ClNO2
Molecular Weight269.68
XLogP3
Topological Polar Surface Area47
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity432
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=CN=C(C=C3)Cl
InChI
InChI=1S/C15H8ClNO2/c16-14-6-5-9(8-17-14)12-7-13(18)10-3-1-2-4-11(10)15(12)19/h1-8H
InChIKey
CQXWGFXLHLMTAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anti-infective agent 2
CAS: 2521629-84-3
CID: 162643643
Formula: C15H8ClNO2
MW: 269.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.68
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass269.0243562
Monoisotopic Mass269.0243562
Topological Polar Surface Area47 Ų
Heavy Atom Count19
Formal Charge0
Complexity432
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