E157-3801 Screening compound: 3-fluoro-N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

E157-3801 Screening compound: 3-fluoro-N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
E157-3801 Screening compound: 3-fluoro-N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-3801
3-fluoro-N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

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

E157-3801

Molecular Formula

C17H12FN5O2S (C17 H12 FN5 O2 S)

Compound Name

3-fluoro-N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

IUPAC name

3-fluoro-N-[3-(phenoxymethyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]benzamide

SMILES

O=C(c1cc(F)ccc1)Nc(s1)nn2c1nnc2COc1ccccc1

InChI

InChI=1S/C17H12FN5O2S/c18-12-6-4-5-11(9-12)15(24)19-16-22-23-14(20-21-17(23)26-16)10-25-13-7-2-1-3-8-13/h1-9H,10H2,(H,19,22,24)

InChI Key

CBPFGWACWHIZTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.38

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

2.815

Distribution Coefficient, logD

1.792

Water Solubility, LogSw

-3.41

Polar Surface Area

65.601

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

E157-3801 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E157-3801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-3801?
Check Price and Availability of E157-3801, 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 E157-3801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-3801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-3801
  • 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 E157-3801 available by request