Products for Research Use Only

MTC420

CAT: 0013-GTR19196989-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19196989-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
MTC420 is a small molecule anti-tuberculosis agent demonstrating potent activity against Mycobacterium tuberculosis, including drug-sensitive strains (IC50 = 525 nM) and multidrug-resistant (MDR) patient isolates (IC50 = 140 nM) . It is a valuable research tool for in vitro studies of TB pharmacology and the investigation of novel mechanisms to combat drug-resistant tuberculosis.
CAS Number
2088930-66-7
Field of Research
Infectious Disease & Virology
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
Storage Conditions
-20°C
Notes
For research use only.

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...
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

Alternative Products

CatalogName
T28120-01MTC420