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DNA Gyrase-IN-8

CAT: 0013-GTR19230988-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230988-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DNA Gyrase-IN-8 is a potent small molecule inhibitor targeting bacterial DNA gyrase, exhibiting antimicrobial activity with an IC50 of 8.45 μM. This compound is a valuable research tool for studying bacterial replication mechanisms and for in vitro evaluation of novel antibacterial strategies.
CAS Number
2925308-76-3
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Smiles
C (=O) (C=1C2=C (N=C (C1) C3=CC=C (Br) C=C3) C=CC=C2) N4N=C (N) CC4=N
Molecular Formula
C19H14BrN5O
Molecular Weight
408.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DNA Gyrase-IN-8
CAS Number2925308-76-3
PubChem CID168355581
IUPAC Name(3-amino-5-imino-4H-pyrazol-1-yl)-[2-(4-bromophenyl)quinolin-4-yl]methanone
Molecular FormulaC19H14BrN5O
Molecular Weight408.3
XLogP3
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity601
SMILES
C1C(=NN(C1=N)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)N
InChI
InChI=1S/C19H14BrN5O/c20-12-7-5-11(6-8-12)16-9-14(13-3-1-2-4-15(13)23-16)19(26)25-18(22)10-17(21)24-25/h1-9,22H,10H2,(H2,21,24)
InChIKey
VXXKCKTXJWGCHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNA Gyrase-IN-8
CAS: 2925308-76-3
CID: 168355581
Formula: C19H14BrN5O
MW: 408.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.3
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass407.03817
Monoisotopic Mass407.03817
Topological Polar Surface Area95.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity601
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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