Products for Research Use Only

TBA-7371

CAT: 0013-GTR19172600-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172600-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TBA-7371
CAS Number
1494675-86-3
Product Name Alternative
Inhibitor, noncovalent, inhibit, antitubercular, antituberculosis, AZ 7371, Bacterial, AZ7371, AZ-7371, DprE1, DprE1-IN-1, TBA 7371, TBA7371, TBA-7371, PDE6, tuberculosis
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
99.00% (May vary between batches)
Solubility
DMSO:6.11 mg/mL (17.19 mM)
Smiles
COc1ncnc (Cn2cc (C (=O) NCCO) c3ncc (C) cc23) c1C
Molecular Formula
C18H21N5O3
Molecular Weight
355.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tba-7371

TBA-7371 is under investigation in clinical trial NCT04176250 (Early Bactericidal Activity of TBA-7371 in Pulmonary Tuberculosis).

CAS Number1494675-86-3
PubChem CID72792692
IUPAC NameN-(2-hydroxyethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
Molecular FormulaC18H21N5O3
Molecular Weight355.4
XLogP0.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity480
SMILES
CC1=CC2=C(C(=CN2CC3=C(C(=NC=N3)OC)C)C(=O)NCCO)N=C1
InChI
InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)
InChIKey
VDRYGTNDKXIPSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tba-7371
CAS: 1494675-86-3
CID: 72792692
Formula: C18H21N5O3
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass355.16443955
Monoisotopic Mass355.16443955
Topological Polar Surface Area102 Ų
Heavy Atom Count26
Formal Charge0
Complexity480
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