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ML338

CAT: 0013-GTR19189548Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189548Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML338 is a selective small molecule probe that potently inhibits non-replicating Mycobacterium tuberculosis, with IC90/IC99 values of 1 μM and 4 μM. It serves as a critical research tool for identifying essential functions and vulnerabilities in nutrient-starved bacilli, aiding studies on persister biology and chemotherapy in both in vitro and in vivo models.
CAS Number
1630160-25-6
Field of Research
Infectious Disease & Virology
Smiles
Clc1ccc (cc1) -c1nnc (SCc2cn (nn2) -c2ccccc2) o1
Molecular Formula
C17H12ClN5OS
Molecular Weight
369.83
Storage Conditions
-20°C
Notes
For research use only.

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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CatalogName
T39109ML338

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