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Antitubercular agent-41

CAT: 0013-GTR19188306-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188306-02Size:10 mg
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Description
Antitubercular agent-41 is a small molecule antibacterial compound used in research to study tuberculosis. It is suitable for both in vitro assays and in vivo animal models to investigate its mechanism of action and efficacy against mycobacterial infections.
CAS Number
901032-23-3
Product Name Alternative
Antibiotic, Antitubercular agent-41, WAY 330335, WAY330335
Field of Research
Infectious Disease & Virology
Purity
99.24% (May vary between batches)
Solubility
DMSO:12 mg/mL (29.6 mM)
Smiles
C (=O) (C1=CC=2C (=NC=3C (C2) =CC (OC) =CC3) O1) N4CCN (CC4) C5=CC=C (F) C=C5
Molecular Formula
C23H20FN3O3
Molecular Weight
405.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antitubercular agent-41
CAS Number901032-23-3
PubChem CID20853843
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(6-methoxyfuro[2,3-b]quinolin-2-yl)methanone
Molecular FormulaC23H20FN3O3
Molecular Weight405.4
XLogP4.4
Topological Polar Surface Area58.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity607
SMILES
COC1=CC2=CC3=C(N=C2C=C1)OC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H20FN3O3/c1-29-19-6-7-20-15(13-19)12-16-14-21(30-22(16)25-20)23(28)27-10-8-26(9-11-27)18-4-2-17(24)3-5-18/h2-7,12-14H,8-11H2,1H3
InChIKey
LVHSQRZDLFKDQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antitubercular agent-41
CAS: 901032-23-3
CID: 20853843
Formula: C23H20FN3O3
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass405.14886967
Monoisotopic Mass405.14886967
Topological Polar Surface Area58.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity607
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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