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Chemical structure of TBAJ-587

GC65371

TBAJ-587

Also known as (1S,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol

TBAJ-587, a potent anti-tuberculosis agent, inhibits M

ChemicalCAS2252316-16-6MW614.5FormulaC30H33BrFN3O5
CAS number
2252316-16-6
Molecular weight
614.5
Formula
C30H33BrFN3O5
Solubility
DMSO ： 43·33 mg/mL (70·51 mM; Need ultrasonic)
InChIKey
JJEGOJPMKLRSPJ-POURPWNDSA-N
Catalogue number
GC65371
Brand
GLPBIO
Computed properties PubChem CID 138319677 · XLogP 5.6 · TPSA 86.2 Ų · H-bond donors 1
XLogP
5.6
TPSA
86.2 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
40

SMILES CN(C)CC[C@@](C1=CC(=NC(=C1)OC)OC)([C@H](C2=C(C(=CC=C2)OC)F)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O

Computed descriptors from PubChem (CID 138319677), 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
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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