G731-0742 Screening compound: ethyl 4-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

G731-0742 Screening compound: ethyl 4-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
G731-0742 Screening compound: ethyl 4-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0742
ethyl 4-(2-{[5-(4-methoxyphenyl)-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

G731-0742

Molecular Formula

C20H20N4O4S (C20 H20 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSc1nnc(-c(cc2)ccc2OC)[nH]1)=O)=O

InChI

InChI=1S/C20H20N4O4S/c1-3-28-19(26)14-4-8-15(9-5-14)21-17(25)12-29-20-22-18(23-24-20)13-6-10-16(27-2)11-7-13/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,23,24)

InChI Key

XRJXNCYGGFLLRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04906354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-3.60

Polar Surface Area

83.921

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G731-0742 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G731-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0742?
Check Price and Availability of G731-0742, 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 G731-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0742
  • 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 G731-0742 available by request