Products for Research Use Only

Q-203 Ditosylate

CAT: 0013-GTR19196674Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196674Size:25 mg
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Description
Q-203 (Ditosylate) is a potent small-molecule inhibitor targeting Mycobacterium tuberculosis. It exhibits low nanomolar activity against MDR and XDR strains in vitro and demonstrates significant efficacy in murine tuberculosis models at doses below 1 mg/kg. This compound is a valuable tool for antitubercular drug discovery research.
CAS Number
1566517-83-6
Field of Research
Infectious Disease & Virology
Smiles
O=C (C1=C (CC) N=C2C=CC (Cl) =CN21) NCC3=CC=C (N4CCC (CC4) C5=CC=C (C=C5) OC (F) (F) F) C=C3.O=S (O) (C6=CC=C (C) C=C6) =O.O=S (O) (C7=CC=C (C) C=C7) =O
Molecular Formula
C43H44ClF3N4O8S2
Molecular Weight
901.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Telacebec ditosylate
CAS Number1566517-83-6
PubChem CID91617801
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;bis(4-methylbenzenesulfonic acid)
Molecular FormulaC43H44ClF3N4O8S2
Molecular Weight901.4
Topological Polar Surface Area184
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count61
Formal Charge0
Complexity1000
SMILES
CCC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)C5=CC=C(C=C5)OC(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C29H28ClF3N4O2.2C7H8O3S/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2*2-5H,1H3,(H,8,9,10)
InChIKey
CCGFTOLSNJBYDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Telacebec ditosylate
CAS: 1566517-83-6
CID: 91617801
Formula: C43H44ClF3N4O8S2
MW: 901.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight901.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass900.2241189
Monoisotopic Mass900.2241189
Topological Polar Surface Area184 Ų
Heavy Atom Count61
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes