G922-0839 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

G922-0839 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
G922-0839 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G922-0839
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-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

G922-0839

Molecular Formula

C30H31N5OS (C30 H31 N5 OS)

Compound Name

2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-{[(25-dimethylphenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-N-phenyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CCc1ccc(C(C(C(Nc2ccccc2)=O)=C(C)Nc2n3)n2nc3SCc2c(C)ccc(C)c2)cc1

InChI

InChI=1S/C30H31N5OS/c1-5-22-13-15-23(16-14-22)27-26(28(36)32-25-9-7-6-8-10-25)21(4)31-29-33-30(34-35(27)29)37-18-24-17-19(2)11-12-20(24)3/h6-17,27H,5,18H2,1-4H3,(H,32,36)(H,31,33,34)/t27-/m0/s1

InChI Key

ZHYMUHLECJNYSF-MHZLTWQESA-N

MDL Number (MFCD)

MFCD15075188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.531

Distribution Coefficient, logD

7.530

Water Solubility, LogSw

-5.51

Polar Surface Area

58.591

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with G922-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G922-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G922-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G922-0839
  • 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 G922-0839 available by request