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Antituberculosis agent-8

CAT: 0931-T72263-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T72263-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2874263-74-6
Target
Antifungal, Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Antituberculosis agent-8 is an antitubercular compound effective against M. tuberculosis H37Rv, demonstrating a minimum inhibitory concentration (MIC) of 3.53 μM (1.6 μg/mL) . Additionally, it exhibits potent antifungal properties against A. niger, with an MIC of 62.50 μM.
Smiles
O(CC=1C=CC(F)=NC1)C2(COC2)C3=C(OC4=CC5=C(N=C4C)C(F)=CC=C5)C=CC=C3F
Molecular Formula
C25H19F3N2O3
Molecular Weight
452.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antituberculosis agent-8
CAS Number2874263-74-6
PubChem CID166642473
IUPAC Name8-fluoro-3-[3-fluoro-2-[3-[(6-fluoro-3-pyridinyl)methoxy]oxetan-3-yl]phenoxy]-2-methylquinoline
Molecular FormulaC25H19F3N2O3
Molecular Weight452.4
XLogP4.3
Topological Polar Surface Area53.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity654
SMILES
CC1=C(C=C2C=CC=C(C2=N1)F)OC3=C(C(=CC=C3)F)C4(COC4)OCC5=CN=C(C=C5)F
InChI
InChI=1S/C25H19F3N2O3/c1-15-21(10-17-4-2-6-19(27)24(17)30-15)33-20-7-3-5-18(26)23(20)25(13-31-14-25)32-12-16-8-9-22(28)29-11-16/h2-11H,12-14H2,1H3
InChIKey
RJZWMLJLHAAMJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antituberculosis agent-8
CAS: 2874263-74-6
CID: 166642473
Formula: C25H19F3N2O3
MW: 452.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass452.13477696
Monoisotopic Mass452.13477696
Topological Polar Surface Area53.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity654
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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