G193-0161 Screening compound: 4-methyl-N-(3-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide

G193-0161 Screening compound: 4-methyl-N-(3-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
G193-0161 Screening compound: 4-methyl-N-(3-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G193-0161
4-methyl-N-(3-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G193-0161

Molecular Formula

C20H15F3N6OS (C20 H15 F3 N6 OS)

Compound Name

4-methyl-N-(3-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide

IUPAC name

4-methyl-N-(3-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-123-triazol-4-yl}-124-thiadiazol-5-yl)benzamide

SMILES

Cc1c(-c2nsc(NC(c3ccc(C)cc3)=O)n2)nnn1-c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C20H15F3N6OS/c1-11-6-8-13(9-7-11)18(30)25-19-24-17(27-31-19)16-12(2)29(28-26-16)15-5-3-4-14(10-15)20(21,22)23/h3-10H,1-2H3,(H,24,25,27,30)

InChI Key

OEHQGOXDONNJND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

4.801

Water Solubility, LogSw

-4.64

Polar Surface Area

70.760

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G193-0161 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G193-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G193-0161?
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What is the minimum amount of G193-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G193-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G193-0161
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G193-0161 available by request