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GWP-042

CAT: 0013-GTR19234026-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234026-01Size:25 mg
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Description
GWP-042 is a potent small-molecule inhibitor of Mycobacterium tuberculosis alanine dehydrogenase (Ald, Rv2780), demonstrating an IC50 of 0.21 μM. It shows promising antibacterial efficacy in vivo, making it a valuable research tool for studying tuberculosis pathogenesis and validating Ald as a therapeutic target.
CAS Number
1645486-93-6
Field of Research
Infectious Disease & Virology
Smiles
C (C=1NC (NC (=O) [C@@H]2CCCO2) =NN1) C3=CC (F) =CC=C3
Molecular Formula
C14H15FN4O2
Molecular Weight
290.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-N-(5-(3-Fluorobenzyl)-4H-1,2,4-triazol-3-yl)tetrahydrofuran-2-carboxamide
CAS Number1645486-93-6
PubChem CID86786439
IUPAC Name(2S)-N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]oxolane-2-carboxamide
Molecular FormulaC14H15FN4O2
Molecular Weight290.29
XLogP2
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity371
SMILES
C1C[C@H](OC1)C(=O)NC2=NNC(=N2)CC3=CC(=CC=C3)F
InChI
InChI=1S/C14H15FN4O2/c15-10-4-1-3-9(7-10)8-12-16-14(19-18-12)17-13(20)11-5-2-6-21-11/h1,3-4,7,11H,2,5-6,8H2,(H2,16,17,18,19,20)/t11-/m0/s1
InChIKey
MIWAYZPDMAOTDL-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (S)-N-(5-(3-Fluorobenzyl)-4H-1,2,4-triazol-3-yl)tetrahydrofuran-2-carboxamide
CAS: 1645486-93-6
CID: 86786439
Formula: C14H15FN4O2
MW: 290.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.29
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass290.11790390
Monoisotopic Mass290.11790390
Topological Polar Surface Area79.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity371
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

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