G922-0411 Screening compound: 4-(5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(phenylcarbamoyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

G922-0411 Screening compound: 4-(5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-(phenylcarbamoyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
G922-0411 Screening compound: 4-(5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-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 G922-0411
4-(5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-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

G922-0411

Molecular Formula

C29H25N5O4S (C29 H25 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(CSc1nn(C(c(cc2)ccc2C(O)=O)C(C(Nc2ccccc2)=O)=C(C)N2)c2n1)=O

InChI

InChI=1S/C29H25N5O4S/c1-17-8-10-19(11-9-17)23(35)16-39-29-32-28-30-18(2)24(26(36)31-22-6-4-3-5-7-22)25(34(28)33-29)20-12-14-21(15-13-20)27(37)38/h3-15,25H,16H2,1-2H3,(H,31,36)(H,37,38)(H,30,32,33)/t25-/m0/s1

InChI Key

GRWZILDCPDXLRN-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15075138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.169

Distribution Coefficient, logD

2.198

Water Solubility, LogSw

-4.82

Polar Surface Area

100.246

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

G922-0411 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G922-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G922-0411?
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What is the minimum amount of G922-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G922-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G922-0411
  • 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 G922-0411 available by request