E157-4699 Screening compound: 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide

E157-4699 Screening compound: 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide
E157-4699 Screening compound: 2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-4699
2-(4-fluorophenoxy)-N-[3-(furan-2-yl)-[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

E157-4699

Molecular Formula

C15H10FN5O3S (C15 H10 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cc1)ccc1F)Nc(s1)nn2c1nnc2-c1ccco1

InChI

InChI=1S/C15H10FN5O3S/c16-9-3-5-10(6-4-9)24-8-12(22)17-14-20-21-13(11-2-1-7-23-11)18-19-15(21)25-14/h1-7H,8H2,(H,17,20,22)

InChI Key

CJXYQXIYDXKYSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-2.81

Polar Surface Area

72.989

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

E157-4699 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E157-4699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-4699?
Check Price and Availability of E157-4699, 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 E157-4699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-4699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-4699
  • 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 E157-4699 available by request