E613-0563 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-0563 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-0563 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0563
N-[2-(4-chlorophenyl)ethyl]-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}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

E613-0563

Molecular Formula

C20H18ClFN2O3 (C20 H18 ClFN2 O3)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

O=C(COCc1noc(-c(cc2)ccc2F)c1)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C20H18ClFN2O3/c21-16-5-1-14(2-6-16)9-10-23-20(25)13-26-12-18-11-19(27-24-18)15-3-7-17(22)8-4-15/h1-8,11H,9-10,12-13H2,(H,23,25)

InChI Key

PQHYYVFGELMGST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-4.06

Polar Surface Area

54.745

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E613-0563 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E613-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0563?
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What is the minimum amount of E613-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0563
  • 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 E613-0563 available by request