G731-0757 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

G731-0757 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
G731-0757 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0757
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

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

G731-0757

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

IUPAC name

2-{[5-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1nnc(-c(cc2)ccc2OC)[nH]1)=O

InChI

InChI=1S/C20H22N4O2S/c1-12-9-13(2)18(14(3)10-12)21-17(25)11-27-20-22-19(23-24-20)15-5-7-16(26-4)8-6-15/h5-10H,11H2,1-4H3,(H,21,25)(H,22,23,24)

InChI Key

PQUDIAUXQYJQAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04906361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-3.55

Polar Surface Area

61.771

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G731-0757 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G731-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0757?
Check Price and Availability of G731-0757, 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 G731-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0757
  • 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 G731-0757 available by request