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Mycobacterium Tuberculosis-IN-2

CAT: 0804-HY-157431Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-157431Size:1 Each
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Description
Mycobacterium Tuberculosis-IN-2 (Compound 29) is a bacterial inhibitor that effectively inhibits Mycobacterium Tuberculosis. Mycobacterium Tuberculosis-IN-2 can be used in tuberculosis research (MIC = 0.07-0.16 μM) [1].
CAS Number
2284580-65-8
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/mycobacterium-tuberculosis-in-2.html
Solubility
10 mM in DMSO
Smiles
O=S(NCCO)(C1=CC=C(C2=NN(CC3=NC=C(C=C3)F)N=N2)C=C1)=O
Molecular Formula
C15H15FN6O3S
Molecular Weight
378.38
References & Citations
[1]Carlos Alemparte-Gallardo, et al. Novel tetrazole compounds and their use in the treatment of tuberculosis. Patent WO2019034729A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mycobacterium Tuberculosis-IN-2
CAS Number2284580-65-8
PubChem CID137499806
IUPAC Name4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
Molecular FormulaC15H15FN6O3S
Molecular Weight378.4
XLogP0.7
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity540
SMILES
C1=CC(=CC=C1C2=NN(N=N2)CC3=NC=C(C=C3)F)S(=O)(=O)NCCO
InChI
InChI=1S/C15H15FN6O3S/c16-12-3-4-13(17-9-12)10-22-20-15(19-21-22)11-1-5-14(6-2-11)26(24,25)18-7-8-23/h1-6,9,18,23H,7-8,10H2
InChIKey
ZADGDPAVPJLDBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mycobacterium Tuberculosis-IN-2
CAS: 2284580-65-8
CID: 137499806
Formula: C15H15FN6O3S
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass378.09103770
Monoisotopic Mass378.09103770
Topological Polar Surface Area131 Ų
Heavy Atom Count26
Formal Charge0
Complexity540
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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