G922-0453 Screening compound: N-(2,4-dimethylphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

G922-0453 Screening compound: N-(2,4-dimethylphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
G922-0453 Screening compound: N-(2,4-dimethylphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G922-0453
N-(2,4-dimethylphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

G922-0453

Molecular Formula

C28H27N5O2S2 (C28 H27 N5 O2 S2)

Compound Name

N-(2,4-dimethylphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

N-(24-dimethylphenyl)-5-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-7-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc(cc1)ccc1C(CSc1nn(C(c2cccs2)C(C(Nc2c(C)cc(C)cc2)=O)=C(C)N2)c2n1)=O

InChI

InChI=1S/C28H27N5O2S2/c1-16-7-10-20(11-8-16)22(34)15-37-28-31-27-29-19(4)24(25(33(27)32-28)23-6-5-13-36-23)26(35)30-21-12-9-17(2)14-18(21)3/h5-14,25H,15H2,1-4H3,(H,30,35)(H,29,31,32)/t25-/m0/s1

InChI Key

KSTXSDJMCVCWOM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15075151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.818

Distribution Coefficient, logD

5.817

Water Solubility, LogSw

-5.35

Polar Surface Area

72.158

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

G922-0453 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with G922-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G922-0453?
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What is the minimum amount of G922-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G922-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G922-0453
  • 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 G922-0453 available by request