E613-0230 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one

E613-0230 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
E613-0230 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0230
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-[4-(4-nitrophenyl)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

E613-0230

Molecular Formula

C23H22N4O7 (C23 H22 N4 O7)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(COCc1noc(-c(cc2)cc3c2OCO3)c1)=O)=O

InChI

InChI=1S/C23H22N4O7/c28-23(26-9-7-25(8-10-26)18-2-4-19(5-3-18)27(29)30)14-31-13-17-12-21(34-24-17)16-1-6-20-22(11-16)33-15-32-20/h1-6,11-12H,7-10,13-15H2

InChI Key

XEQCKYVKGQUQQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.35

Polar Surface Area

100.581

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E613-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0230?
Check Price and Availability of E613-0230, 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 E613-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0230
  • 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 E613-0230 available by request