E157-4687 Screening compound: 2-(4-fluorophenoxy)-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide

E157-4687 Screening compound: 2-(4-fluorophenoxy)-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide
E157-4687 Screening compound: 2-(4-fluorophenoxy)-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4687
2-(4-fluorophenoxy)-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]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

E157-4687

Molecular Formula

C18H14FN5O2S (C18 H14 FN5 O2 S)

Compound Name

2-(4-fluorophenoxy)-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide

IUPAC name

2-(4-fluorophenoxy)-N-[3-(2-methylphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]acetamide

SMILES

Cc(cccc1)c1-c1nnc2sc(NC(COc(cc3)ccc3F)=O)nn12

InChI

InChI=1S/C18H14FN5O2S/c1-11-4-2-3-5-14(11)16-21-22-18-24(16)23-17(27-18)20-15(25)10-26-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H,20,23,25)

InChI Key

WLOBWCGNRWMMLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.74

Polar Surface Area

64.411

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E157-4687 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E157-4687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4687?
Check Price and Availability of E157-4687, 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 E157-4687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4687
  • 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 E157-4687 available by request