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Antibacterial agent 223

CAT: 0804-HY-161728Size: 1 EachDry Ice: NoHazardous: No
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Description
Antibacterial agent 223 (compound D8-03) is an inhibitor of Francisella tularensis. Antibacterial agent 223 can inhibit intracellular growth of Francisella tularensis in mice[1].
CAS Number
833432-18-1
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antibacterial-agent-223.html
Smiles
ClC1=CC=C(OC(C)(C)C(NC2=CC=C(OC(C3=CC=NC=C3)=N4)C4=C2)=O)C=C1
Molecular Formula
C22H18ClN3O3
Molecular Weight
407.85
References & Citations
[1]Shannon Whiles, et al. Discovery of D8-03 as an Inhibitor of Intracellular Growth of Francisella tularensis. ACS Infect Dis. 2024 Jun 14.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(4-chlorophenoxy)-2-methyl-N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]propanamide
CAS Number833432-18-1
PubChem CID1256741
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
Molecular FormulaC22H18ClN3O3
Molecular Weight407.8
XLogP4.4
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity562
SMILES
CC(C)(C(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H18ClN3O3/c1-22(2,29-17-6-3-15(23)4-7-17)21(27)25-16-5-8-19-18(13-16)26-20(28-19)14-9-11-24-12-10-14/h3-13H,1-2H3,(H,25,27)
InChIKey
YBTRRBWMZQSUPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-chlorophenoxy)-2-methyl-N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]propanamide
CAS: 833432-18-1
CID: 1256741
Formula: C22H18ClN3O3
MW: 407.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.8
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass407.1036691
Monoisotopic Mass407.1036691
Topological Polar Surface Area77.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity562
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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