D400-1071 Screening compound: N-(3-chloro-2-methylphenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide

D400-1071 Screening compound: N-(3-chloro-2-methylphenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
D400-1071 Screening compound: N-(3-chloro-2-methylphenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-1071
N-(3-chloro-2-methylphenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]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

D400-1071

Molecular Formula

C19H18ClN3O3 (C19 H18 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1noc(-c(cc2)ccc2OCC(Nc2cccc(Cl)c2C)=O)n1

InChI

InChI=1S/C19H18ClN3O3/c1-3-17-22-19(26-23-17)13-7-9-14(10-8-13)25-11-18(24)21-16-6-4-5-15(20)12(16)2/h4-10H,3,11H2,1-2H3,(H,21,24)

InChI Key

JQCQKNUAVARTLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.432

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.41

Polar Surface Area

62.585

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D400-1071 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 D400-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-1071?
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What is the minimum amount of D400-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-1071
  • 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 D400-1071 available by request