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BWC0977

CAT: 0931-T201074-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T201074-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2254567-00-3
Target
DNA/RNA Synthesis, Topoisomerase, Antibacterial
Related Pathways
DNA Damage/DNA Repair, Microbiology/Virology, Cell Cycle/Checkpoint
Bioactivity
BWC0977 is an effective topoisomerase inhibitor that disrupts bacterial DNA replication by targeting both DNA gyrase and topoisomerase IV. The minimum inhibitory concentration (MIC90) of BWC0977 against MDR (multi-drug resistant) Gram-negative bacteria ranges from 0.03 to 2 μg/mL.
Smiles
C(CNC[C@H]1CN(C(=O)O1)C=2N=C3C(=NC2)OCC(=O)N3)C4=C5C(=CC=C4F)C=CC(=O)N5C
Molecular Formula
C22H21FN6O5
Molecular Weight
468.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-[(5S)-5-[[2-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CAS Number2254567-00-3
PubChem CID142490497
IUPAC Name6-[(5S)-5-[[2-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
Molecular FormulaC22H21FN6O5
Molecular Weight468.4
XLogP0.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity845
SMILES
CN1C(=O)C=CC2=C1C(=C(C=C2)F)CCNC[C@H]3CN(C(=O)O3)C4=CN=C5C(=N4)NC(=O)CO5
InChI
InChI=1S/C22H21FN6O5/c1-28-18(31)5-3-12-2-4-15(23)14(19(12)28)6-7-24-8-13-10-29(22(32)34-13)16-9-25-21-20(26-16)27-17(30)11-33-21/h2-5,9,13,24H,6-8,10-11H2,1H3,(H,26,27,30)/t13-/m0/s1
InChIKey
MKICNOUBIXXGPQ-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 6-[(5S)-5-[[2-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
CAS: 2254567-00-3
CID: 142490497
Formula: C22H21FN6O5
MW: 468.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass468.15574595
Monoisotopic Mass468.15574595
Topological Polar Surface Area126 Ų
Heavy Atom Count34
Formal Charge0
Complexity845
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

Alternative Products

CatalogName
HY-162959BWC0977
HY-162959A-01BWC0977 (formic)
GTR19274426-01BWC0977 formic

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