G856-2581 Screening compound: 6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

G856-2581 Screening compound: 6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
G856-2581 Screening compound: 6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-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 G856-2581
6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-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

G856-2581

Molecular Formula

C22H19N5O4S (C22 H19 N5 O4 S)

Compound Name

6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-124-triazol-3-yl)methyl]-1234-tetrahydropyrimidine-24-dione

SMILES

COc(cc1)ccc1C(CSc1nnc(CC(NC(N2)=O)=CC2=O)n1-c1ccccc1)=O

InChI

InChI=1S/C22H19N5O4S/c1-31-17-9-7-14(8-10-17)18(28)13-32-22-26-25-19(27(22)16-5-3-2-4-6-16)11-15-12-20(29)24-21(30)23-15/h2-10,12H,11,13H2,1H3,(H2,23,24,29,30)

InChI Key

NTJTXYZSYOGZAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.993

Distribution Coefficient, logD

1.544

Water Solubility, LogSw

-2.46

Polar Surface Area

95.768

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G856-2581 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G856-2581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-2581?
Check Price and Availability of G856-2581, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G856-2581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-2581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-2581
  • 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 G856-2581 available by request