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K13787

CAT: 0013-GTR19250099-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250099-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
K13787 is a small molecule inhibitor of acetohydroxy acid synthase (AHAS) with antibacterial activity against non-tuberculous mycobacteria (NTM), including clarithromycin-resistant strains. It serves as a research tool for studying NTM infections and antimicrobial resistance mechanisms in both in vitro and in vivo experimental models.
CAS Number
2248016-83-1
Field of Research
Infectious Disease & Virology
Smiles
O=C (C=1C=CC=C (F) C1NS (=O) (=O) C=2N=C3C (F) =CN=C (OC) N3N2) C
Molecular Formula
C14H11F2N5O4S
Molecular Weight
383.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-acetyl-6-fluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CAS Number2248016-83-1
PubChem CID172677433
IUPAC NameN-(2-acetyl-6-fluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Molecular FormulaC14H11F2N5O4S
Molecular Weight383.33
XLogP1.7
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity633
SMILES
CC(=O)C1=C(C(=CC=C1)F)NS(=O)(=O)C2=NN3C(=N2)C(=CN=C3OC)F
InChI
InChI=1S/C14H11F2N5O4S/c1-7(22)8-4-3-5-9(15)11(8)20-26(23,24)13-18-12-10(16)6-17-14(25-2)21(12)19-13/h3-6,20H,1-2H3
InChIKey
RFYWGTDWRCQLAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-acetyl-6-fluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CAS: 2248016-83-1
CID: 172677433
Formula: C14H11F2N5O4S
MW: 383.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.33
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass383.04998135
Monoisotopic Mass383.04998135
Topological Polar Surface Area124 Ų
Heavy Atom Count26
Formal Charge0
Complexity633
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

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