G731-0141 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one

G731-0141 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
G731-0141 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-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 G731-0141
1-[4-(4-methoxyphenyl)piperazin-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

G731-0141

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

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

IUPAC name

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-4H-124-triazol-3-yl)sulfanyl]ethan-1-one

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CSc1nnc(-c2ccccc2)[nH]1)=O

InChI

InChI=1S/C21H23N5O2S/c1-28-18-9-7-17(8-10-18)25-11-13-26(14-12-25)19(27)15-29-21-22-20(23-24-21)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,23,24)

InChI Key

SKICZBFKISWWJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09179676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

1.566

Water Solubility, LogSw

-3.17

Polar Surface Area

59.670

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G731-0141 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G731-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0141?
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What is the minimum amount of G731-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0141
  • 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 G731-0141 available by request