G731-0125 Screening compound: methyl 4-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate

G731-0125 Screening compound: methyl 4-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
G731-0125 Screening compound: methyl 4-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0125
methyl 4-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate

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

G731-0125

Molecular Formula

C18H16N4O3S (C18 H16 N4 O3 S)

Compound Name

methyl 4-{2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate

IUPAC name

methyl 4-{2-[(5-phenyl-4H-124-triazol-3-yl)sulfanyl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nnc(-c2ccccc2)[nH]1)=O)=O

InChI

InChI=1S/C18H16N4O3S/c1-25-17(24)13-7-9-14(10-8-13)19-15(23)11-26-18-20-16(21-22-18)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,23)(H,20,21,22)

InChI Key

PVHOOAFMIHBYAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02872962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-3.49

Polar Surface Area

76.797

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G731-0125 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G731-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0125?
Check Price and Availability of G731-0125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G731-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0125
  • 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 G731-0125 available by request