G193-0617 Screening compound: 2-methoxy-N-(3-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide

G193-0617 Screening compound: 2-methoxy-N-(3-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
G193-0617 Screening compound: 2-methoxy-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 G193-0617
2-methoxy-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

G193-0617

Molecular Formula

C20H18N6O2S2 (C20 H18 N6 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2nsc(NC(c(cccc3)c3OC)=O)n2)nnn1-c1cc(SC)ccc1

InChI

InChI=1S/C20H18N6O2S2/c1-12-17(23-25-26(12)13-7-6-8-14(11-13)29-3)18-21-20(30-24-18)22-19(27)15-9-4-5-10-16(15)28-2/h4-11H,1-3H3,(H,21,22,24,27)

InChI Key

DLNRDPPGMSRECU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-4.15

Polar Surface Area

78.391

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G193-0617 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G193-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G193-0617?
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What is the minimum amount of G193-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G193-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G193-0617
  • 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 G193-0617 available by request