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Antileishmanial agent-13

CAT: 0931-T72260-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72260-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
853725-86-7
Target
Others, Parasite
Related Pathways
Others, Microbiology/Virology
Bioactivity
Antileishmanial agent-13, a quinoline-isatin hybrid, functions as an antileishmanial agent targeting the L. Major Leishmania strain through an anti-folate mechanism. This compound exhibits potent inhibition of both the promastigote and amastigote forms, boasting IC50 values of 0.604 μM and 0.508 μM, respectively.
Smiles
N(NC=1C2=C(C=C(Cl)C=C2)N=CC1)=C3C=4C(NC3=O)=CC=C(Br)C4
Molecular Formula
C17H10BrClN4O
Molecular Weight
401.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antileishmanial agent-13
CAS Number853725-86-7
PubChem CID3899987
IUPAC Name5-bromo-3-[(7-chloroquinolin-4-yl)diazenyl]-1H-indol-2-ol
Molecular FormulaC17H10BrClN4O
Molecular Weight401.6
XLogP5.4
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity482
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)N=NC3=C(NC4=C3C=C(C=C4)Br)O
InChI
InChI=1S/C17H10BrClN4O/c18-9-1-4-13-12(7-9)16(17(24)21-13)23-22-14-5-6-20-15-8-10(19)2-3-11(14)15/h1-8,21,24H
InChIKey
OBGGZEUPJBSXSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antileishmanial agent-13
CAS: 853725-86-7
CID: 3899987
Formula: C17H10BrClN4O
MW: 401.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.6
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass399.97265
Monoisotopic Mass399.97265
Topological Polar Surface Area73.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity482
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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