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Antitubercular agent 34

CAT: 0013-GTR19220723-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220723-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Antitubercular agent 34 (42g) is a promising small molecule for tuberculosis research, demonstrating potent in vitro activity against Mtb H37Rv with a MIC90 of 1.25 μg/mL. Its stability in human liver microsomes suggests favorable metabolic properties for further in vivo efficacy studies.
CAS Number
2883173-23-5
Field of Research
Infectious Disease & Virology
Molecular Formula
C19H14N4O2S
Molecular Weight
362.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antitubercular agent 34
CAS Number2883173-23-5
PubChem CID166177007
IUPAC Name5-(2-anilino-1,3-thiazol-4-yl)-N-phenyl-1,2-oxazole-3-carboxamide
Molecular FormulaC19H14N4O2S
Molecular Weight362.4
XLogP4.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity468
SMILES
C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC(=NO3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C19H14N4O2S/c24-18(20-13-7-3-1-4-8-13)15-11-17(25-23-15)16-12-26-19(22-16)21-14-9-5-2-6-10-14/h1-12H,(H,20,24)(H,21,22)
InChIKey
BOPJWDQJEOTUAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antitubercular agent 34
CAS: 2883173-23-5
CID: 166177007
Formula: C19H14N4O2S
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass362.08374688
Monoisotopic Mass362.08374688
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity468
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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