Products for Research Use Only

TBA-354

CAT: 0013-GTR19171053-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171053-05Size:100 mg
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Description
TBA-354 is a small molecule research compound with potent anti-tubercular activity against the reference strain Mycobacterium tuberculosis H37Rv. It serves as a valuable tool for investigating novel therapeutic strategies in tuberculosis research, including both in vitro and in vivo experimental models.
CAS Number
1257426-19-9
Product Name Alternative
Antibacterial, Antibiotic, Bacterial, Inhibitor, inhibit, TBA 354, TBA354, TBA-354
Field of Research
Infectious Disease & Virology
Purity
99.35% (May vary between batches)
Solubility
DMSO:55 mg/mL (126.05 mM) ;10% DMSO+90% Corn Oil:2.5 mg/mL (5.73 mM)
Smiles
[O-][N+] (=O) c1cn2C[C@@H] (COc2n1) OCc1ccc (nc1) -c1ccc (OC (F) (F) F) cc1
Molecular Formula
C19H15F3N4O5
Molecular Weight
436.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tba-354

an antitubercular agent; structure in first source

CAS Number1257426-19-9
PubChem CID49836057
IUPAC Name(6S)-2-nitro-6-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Molecular FormulaC19H15F3N4O5
Molecular Weight436.3
XLogP3.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity614
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CN=C(C=C3)C4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C19H15F3N4O5/c20-19(21,22)31-14-4-2-13(3-5-14)16-6-1-12(7-23-16)10-29-15-8-25-9-17(26(27)28)24-18(25)30-11-15/h1-7,9,15H,8,10-11H2/t15-/m0/s1
InChIKey
ZXSGSFMORAILEY-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Tba-354
CAS: 1257426-19-9
CID: 49836057
Formula: C19H15F3N4O5
MW: 436.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight436.3
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass436.09945408
Monoisotopic Mass436.09945408
Topological Polar Surface Area104 Ų
Heavy Atom Count31
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes