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Antibacterial agent 67

CAT: 0013-GTR19185227-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185227-03Size:100 mg
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Description
Antibacterial agent 67 is a potent and selective succinate dehydrogenase (SDH) inhibitor with an IC50 of 0.03 μM, exhibiting over 100-fold greater potency than haloperidol in enzymatic assays. This small molecule is a valuable research tool for studying mitochondrial complex II function in antibacterial mechanisms and metabolic research, applicable in both in vitro and cellular models.
CAS Number
2488900-01-0
Field of Research
Infectious Disease & Virology
Smiles
N (C (=O) C=1C (C (F) F) =NN (C) C1) C2=C (C3=CC (F) =C (/N=N/C4=C (F) C=CC=C4F) C (F) =C3) C=CC=C2
Molecular Formula
C24H15F6N5O
Molecular Weight
503.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antibacterial agent 67
CAS Number2488900-01-0
PubChem CID162679317
IUPAC Name3-(difluoromethyl)-N-[2-[4-[(2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]phenyl]-1-methylpyrazole-4-carboxamide
Molecular FormulaC24H15F6N5O
Molecular Weight503.4
XLogP5.5
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity755
SMILES
CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)N=NC4=C(C=CC=C4F)F)F
InChI
InChI=1S/C24H15F6N5O/c1-35-11-14(20(34-35)23(29)30)24(36)31-19-8-3-2-5-13(19)12-9-17(27)22(18(28)10-12)33-32-21-15(25)6-4-7-16(21)26/h2-11,23H,1H3,(H,31,36)
InChIKey
PNSJLVLHLURMBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antibacterial agent 67
CAS: 2488900-01-0
CID: 162679317
Formula: C24H15F6N5O
MW: 503.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight503.4
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass503.11807909
Monoisotopic Mass503.11807909
Topological Polar Surface Area71.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity755
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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