G922-0168 Screening compound: 4-(2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

G922-0168 Screening compound: 4-(2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
G922-0168 Screening compound: 4-(2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G922-0168
4-(2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

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

G922-0168

Molecular Formula

C28H25N5O4S (C28 H25 N5 O4 S)

Compound Name

4-(2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

IUPAC name

4-(2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-6-(phenylcarbamoyl)-4H7H-[124]triazolo[15-a]pyrimidin-7-yl)benzoic acid

SMILES

CC(Nc1nc(SCc2cc(OC)ccc2)nn1C1c(cc2)ccc2C(O)=O)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C28H25N5O4S/c1-17-23(25(34)30-21-8-4-3-5-9-21)24(19-11-13-20(14-12-19)26(35)36)33-27(29-17)31-28(32-33)38-16-18-7-6-10-22(15-18)37-2/h3-15,24H,16H2,1-2H3,(H,30,34)(H,35,36)(H,29,31,32)/t24-/m0/s1

InChI Key

OUQWCSNAASHQPF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15075088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.276

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-5.08

Polar Surface Area

94.543

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

G922-0168 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G922-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G922-0168?
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What is the minimum amount of G922-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G922-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G922-0168
  • 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 G922-0168 available by request