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MTC420

CAT: 0931-T28120-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28120-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2088930-66-7
Target
Antibacterial, Others
Related Pathways
Microbiology/Virology, Others
Bioactivity
MTC420 is a anti-tuberculosis agent with acceptable anti-tuberculosis activity (Mtb IC50 =525 nM, Mtb Wayne IC50 = 76 nM and MDR Mtb patient isolates IC50 = 140 nM) .
Smiles
O=C1C=2C(NC(=C1C)C3=CC=C(C=C3)N4CC(F)(F)CC4)=CC(F)=CC2F
Molecular Formula
C20H16F4N2O
Molecular Weight
376.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[4-(3,3-Difluoropyrrolidine-1-yl)phenyl]-3-methyl-5,7-difluoroquinoline-4(1H)-one
CAS Number2088930-66-7
PubChem CID129259157
IUPAC Name2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one
Molecular FormulaC20H16F4N2O
Molecular Weight376.3
XLogP4.7
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity629
SMILES
CC1=C(NC2=C(C1=O)C(=CC(=C2)F)F)C3=CC=C(C=C3)N4CCC(C4)(F)F
InChI
InChI=1S/C20H16F4N2O/c1-11-18(25-16-9-13(21)8-15(22)17(16)19(11)27)12-2-4-14(5-3-12)26-7-6-20(23,24)10-26/h2-5,8-9H,6-7,10H2,1H3,(H,25,27)
InChIKey
FFUXCAUWEZSJRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-(3,3-Difluoropyrrolidine-1-yl)phenyl]-3-methyl-5,7-difluoroquinoline-4(1H)-one
CAS: 2088930-66-7
CID: 129259157
Formula: C20H16F4N2O
MW: 376.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.3
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass376.11987579
Monoisotopic Mass376.11987579
Topological Polar Surface Area32.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity629
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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CatalogName
MBS5777815MTC420

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