E613-0331 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetamide

E613-0331 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetamide
E613-0331 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0331
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]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

E613-0331

Molecular Formula

C24H21N3O7 (C24 H21 N3 O7)

Compound Name

2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetamide

IUPAC name

2-{[5-(2H-13-benzodioxol-5-yl)-12-oxazol-3-yl]methoxy}-N-[3-(4-ethoxyphenyl)-12-oxazol-5-yl]acetamide

SMILES

CCOc(cc1)ccc1-c1noc(NC(COCc2noc(-c(cc3)cc4c3OCO4)c2)=O)c1

InChI

InChI=1S/C24H21N3O7/c1-2-30-18-6-3-15(4-7-18)19-11-24(34-27-19)25-23(28)13-29-12-17-10-21(33-26-17)16-5-8-20-22(9-16)32-14-31-20/h3-11H,2,12-14H2,1H3,(H,25,28)

InChI Key

BZWHZYRAWNJYLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.416

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.31

Polar Surface Area

100.101

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E613-0331 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E613-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0331?
Check Price and Availability of E613-0331, 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 E613-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0331
  • 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 E613-0331 available by request