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BDM31369

CAT: 0013-GTR19208657-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208657-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BDM31369 is a small molecule compound that acts as a potent activator of the prodrug ethionamide. It is utilized in tuberculosis research to enhance ethionamide's bactericidal activity against Mycobacterium tuberculosis, facilitating both in vitro and in vivo mechanistic studies.
CAS Number
1001467-91-9
Smiles
C (CCC (C) C) (=O) N1CCC (C2=NC (=NO2) C3=CC=CS3) CC1
Molecular Formula
C17H23N3O2S
Molecular Weight
333.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Methyl-1-[4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one
CAS Number1001467-91-9
PubChem CID24804103
IUPAC Name4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
Molecular FormulaC17H23N3O2S
Molecular Weight333.5
XLogP3.2
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity399
SMILES
CC(C)CCC(=O)N1CCC(CC1)C2=NC(=NO2)C3=CC=CS3
InChI
InChI=1S/C17H23N3O2S/c1-12(2)5-6-15(21)20-9-7-13(8-10-20)17-18-16(19-22-17)14-4-3-11-23-14/h3-4,11-13H,5-10H2,1-2H3
InChIKey
QWPAQBJBWLSPSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-1-[4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one
CAS: 1001467-91-9
CID: 24804103
Formula: C17H23N3O2S
MW: 333.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.5
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass333.15109816
Monoisotopic Mass333.15109816
Topological Polar Surface Area87.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity399
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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