G856-8339 Screening compound: 2-(4-ethoxyphenyl)-N-{2-[2-(4-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl]ethyl}acetamide

G856-8339 Screening compound: 2-(4-ethoxyphenyl)-N-{2-[2-(4-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl]ethyl}acetamide
G856-8339 Screening compound: 2-(4-ethoxyphenyl)-N-{2-[2-(4-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8339
2-(4-ethoxyphenyl)-N-{2-[2-(4-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl]ethyl}acetamide

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

G856-8339

Molecular Formula

C23H23FN4O2S (C23 H23 FN4 O2 S)

Compound Name

2-(4-ethoxyphenyl)-N-{2-[2-(4-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl]ethyl}acetamide

IUPAC name

2-(4-ethoxyphenyl)-N-{2-[2-(4-fluorophenyl)-6-methyl-[124]triazolo[32-b][13]thiazol-5-yl]ethyl}acetamide

SMILES

CCOc1ccc(CC(NCCc2c(C)n3nc(-c(cc4)ccc4F)nc3s2)=O)cc1

InChI

InChI=1S/C23H23FN4O2S/c1-3-30-19-10-4-16(5-11-19)14-21(29)25-13-12-20-15(2)28-23(31-20)26-22(27-28)17-6-8-18(24)9-7-17/h4-11H,3,12-14H2,1-2H3,(H,25,29)

InChI Key

UBMPEHFCDMFVCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07193068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-4.02

Polar Surface Area

52.873

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G856-8339 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G856-8339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8339?
Check Price and Availability of G856-8339, 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 G856-8339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8339
  • 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 G856-8339 available by request