E595-0168 Screening compound: 4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine

E595-0168 Screening compound: 4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine
E595-0168 Screening compound: 4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0168
4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine

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

E595-0168

Molecular Formula

C16H10F3N7O (C16 H10 F3 N7 O)

Compound Name

4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine

IUPAC name

4-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]-1-[3-(trifluoromethyl)phenyl]-1H-123-triazol-5-amine

SMILES

Nc1c(-c2nc(-c3ccncc3)no2)nnn1-c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C16H10F3N7O/c17-16(18,19)10-2-1-3-11(8-10)26-13(20)12(23-25-26)15-22-14(24-27-15)9-4-6-21-7-5-9/h1-8H,20H2

InChI Key

GTFFYBLOVFELEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.663

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-2.71

Polar Surface Area

87.167

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

E595-0168 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E595-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0168?
Check Price and Availability of E595-0168, 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 E595-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0168
  • 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 E595-0168 available by request