G193-0089 Screening compound: 4-chloro-N-(3-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide

G193-0089 Screening compound: 4-chloro-N-(3-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
G193-0089 Screening compound: 4-chloro-N-(3-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G193-0089
4-chloro-N-(3-{5-methyl-1-[3-(methylsulfanyl)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

G193-0089

Molecular Formula

C19H15ClN6OS2 (C19 H15 ClN6 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2nsc(NC(c(cc3)ccc3Cl)=O)n2)nnn1-c1cc(SC)ccc1

InChI

InChI=1S/C19H15ClN6OS2/c1-11-16(23-25-26(11)14-4-3-5-15(10-14)28-2)17-21-19(29-24-17)22-18(27)12-6-8-13(20)9-7-12/h3-10H,1-2H3,(H,21,22,24,27)

InChI Key

VANUGGCMEBXXOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.549

Distribution Coefficient, logD

4.514

Water Solubility, LogSw

-4.76

Polar Surface Area

70.760

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G193-0089 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G193-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G193-0089?
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What is the minimum amount of G193-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G193-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G193-0089
  • 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 G193-0089 available by request