D400-1020 Screening compound: 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

D400-1020 Screening compound: 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
D400-1020 Screening compound: 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-1020
2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]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

D400-1020

Molecular Formula

C19H16F3N3O3 (C19 H16 F3 N3 O3)

Compound Name

2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[4-(3-ethyl-124-oxadiazol-5-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

CCc1noc(-c(cc2)ccc2OCC(Nc2c(C(F)(F)F)cccc2)=O)n1

InChI

InChI=1S/C19H16F3N3O3/c1-2-16-24-18(28-25-16)12-7-9-13(10-8-12)27-11-17(26)23-15-6-4-3-5-14(15)19(20,21)22/h3-10H,2,11H2,1H3,(H,23,26)

InChI Key

RJUDZRJWKKIUQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.24

Polar Surface Area

62.585

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D400-1020 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 D400-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-1020?
Check Price and Availability of D400-1020, 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 D400-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-1020
  • 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 D400-1020 available by request