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Chemical structure of Tuberculosis inhibitor 12

GC75960

Tuberculosis inhibitor 12

Also known as 2-(4-fluorophenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

Tuberculosis inhibitor 12 (compound 12) is an oxadiazole derivative and an inhibitor of Mycobacterium tuberculosis

ChemicalCAS793729-44-9MW344.32FormulaC15H9FN4O3S
CAS number
793729-44-9
Molecular weight
344.32
Formula
C15H9FN4O3S
Solubility
DMSO: 50 mg/mL (145·21 mM; Need ultrasonic)
InChIKey
RDVSQKOJZWNWAZ-UHFFFAOYSA-N
Catalogue number
GC75960
Brand
GLPBIO
Computed properties PubChem CID 2566778 · XLogP 2.5 · TPSA 116 Ų · H-bond donors 0
XLogP
2.5
TPSA
116 Ų
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
24

SMILES C1=COC(=C1)C2=NN=C(O2)SCC3=NN=C(O3)C4=CC=C(C=C4)F

Computed descriptors from PubChem (CID 2566778), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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