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ML338

CAT: 0931-T39109Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T39109Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1630160-25-6
Target
Antibacterial, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
ML338 is a selective small molecule inhibitor probe specifically targeting non-replicating Mycobacterium tuberculosis bacilli. It exhibits potent activity against non-replicating M. tuberculosis, with IC90 and IC99 values of 1 μM and 4 μM, respectively, as determined by CFU. This compound, ML338, is an invaluable tool for identifying essential functions and vulnerabilities of M. tuberculosis bacilli under nutrient deprivation conditions. Additionally, ML338 is highly useful for studying M. tuberculosis chemotherapy.
Smiles
Clc1ccc(cc1)-c1nnc(SCc2cn(nn2)-c2ccccc2)o1
Molecular Formula
C17H12ClN5OS
Molecular Weight
369.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 60182306
CAS Number1630160-25-6
PubChem CID60182306
IUPAC Name2-(4-chlorophenyl)-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
Molecular FormulaC17H12ClN5OS
Molecular Weight369.8
XLogP3.8
Topological Polar Surface Area94.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity420
SMILES
C1=CC=C(C=C1)N2C=C(N=N2)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H12ClN5OS/c18-13-8-6-12(7-9-13)16-20-21-17(24-16)25-11-14-10-23(22-19-14)15-4-2-1-3-5-15/h1-10H,11H2
InChIKey
GMRWWIAYZWSOAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 60182306
CAS: 1630160-25-6
CID: 60182306
Formula: C17H12ClN5OS
MW: 369.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.8
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass369.0451089
Monoisotopic Mass369.0451089
Topological Polar Surface Area94.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity420
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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Alternative Products

CatalogName
GTR19189548ML338

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