G856-6827 Screening compound: N-methyl-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide

G856-6827 Screening compound: N-methyl-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide
G856-6827 Screening compound: N-methyl-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6827
N-methyl-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide

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

G856-6827

Molecular Formula

C20H17N5O2S (C20 H17 N5 O2 S)

Compound Name

N-methyl-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide

IUPAC name

N-methyl-2-({7-oxo-5-phenyl-7H8H-[124]triazolo[43-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide

SMILES

CN(C(CSc1nnc(N2)n1C(c1ccccc1)=CC2=O)=O)c1ccccc1

InChI

InChI=1S/C20H17N5O2S/c1-24(15-10-6-3-7-11-15)18(27)13-28-20-23-22-19-21-17(26)12-16(25(19)20)14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,21,22,26)

InChI Key

WFVQFFWJQANBAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06714194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.043

Distribution Coefficient, logD

2.036

Water Solubility, LogSw

-2.59

Polar Surface Area

66.948

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G856-6827 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-6827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6827?
Check Price and Availability of G856-6827, 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 G856-6827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6827
  • 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 G856-6827 available by request