D400-1017 Screening compound: ethyl 4-{2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}benzoate

D400-1017 Screening compound: ethyl 4-{2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}benzoate
D400-1017 Screening compound: ethyl 4-{2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-1017
ethyl 4-{2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}benzoate

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

D400-1017

Molecular Formula

C21H21N3O5 (C21 H21 N3 O5)

Compound Name

ethyl 4-{2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}benzoate

IUPAC name

ethyl 4-{2-[4-(3-ethyl-124-oxadiazol-5-yl)phenoxy]acetamido}benzoate

SMILES

CCc1noc(-c(cc2)ccc2OCC(Nc(cc2)ccc2C(OCC)=O)=O)n1

InChI

InChI=1S/C21H21N3O5/c1-3-18-23-20(29-24-18)14-7-11-17(12-8-14)28-13-19(25)22-16-9-5-15(6-10-16)21(26)27-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,25)

InChI Key

BOQJIQFKFQBSNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.12

Polar Surface Area

84.037

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D400-1017 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D400-1017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-1017?
Check Price and Availability of D400-1017, 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 D400-1017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-1017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-1017
  • 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 D400-1017 available by request