G731-0022 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one

G731-0022 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
G731-0022 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0022
1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one

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

G731-0022

Molecular Formula

C18H16N4OS (C18 H16 N4 OS)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-[(5-phenyl-4H-124-triazol-3-yl)sulfanyl]ethan-1-one

SMILES

O=C(CSc1nnc(-c2ccccc2)[nH]1)N(CC1)c2c1cccc2

InChI

InChI=1S/C18H16N4OS/c23-16(22-11-10-13-6-4-5-9-15(13)22)12-24-18-19-17(20-21-18)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,19,20,21)

InChI Key

ICIHOPYEWAJEAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06392197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

1.663

Water Solubility, LogSw

-3.41

Polar Surface Area

47.897

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G731-0022 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G731-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0022?
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What is the minimum amount of G731-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0022
  • 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 G731-0022 available by request