E613-0057 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one

E613-0057 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one
E613-0057 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0057
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one

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

E613-0057

Molecular Formula

C25H25N3O7 (C25 H25 N3 O7)

Compound Name

2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-{[5-(2H-13-benzodioxol-5-yl)-12-oxazol-3-yl]methoxy}-1-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one

SMILES

O=C(COCc1noc(-c(cc2)cc3c2OCO3)c1)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C25H25N3O7/c29-25(28-7-5-27(6-8-28)12-17-1-3-20-23(9-17)33-15-31-20)14-30-13-19-11-22(35-26-19)18-2-4-21-24(10-18)34-16-32-21/h1-4,9-11H,5-8,12-16H2

InChI Key

GZVCNMSURZQQEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14903992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-2.79

Polar Surface Area

84.596

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E613-0057 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E613-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0057?
Check Price and Availability of E613-0057, 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 E613-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0057
  • 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 E613-0057 available by request