G856-2585 Screening compound: 6-{[4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

G856-2585 Screening compound: 6-{[4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
G856-2585 Screening compound: 6-{[4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-2585
6-{[4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

G856-2585

Molecular Formula

C23H21N5O3S (C23 H21 N5 O3 S)

Compound Name

6-{[4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-{[4-(25-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-124-triazol-3-yl]methyl}-1234-tetrahydropyrimidine-24-dione

SMILES

Cc1cc(-n2c(SCC(c3ccccc3)=O)nnc2CC(NC(N2)=O)=CC2=O)c(C)cc1

InChI

InChI=1S/C23H21N5O3S/c1-14-8-9-15(2)18(10-14)28-20(11-17-12-21(30)25-22(31)24-17)26-27-23(28)32-13-19(29)16-6-4-3-5-7-16/h3-10,12H,11,13H2,1-2H3,(H2,24,25,30,31)

InChI Key

ROTXWVCGBGQGBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.960

Distribution Coefficient, logD

2.511

Water Solubility, LogSw

-3.48

Polar Surface Area

87.923

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with G856-2585 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G856-2585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-2585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-2585
  • 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 G856-2585 available by request