E613-0047 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-(2-ethylpiperidin-1-yl)ethan-1-one

E613-0047 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-(2-ethylpiperidin-1-yl)ethan-1-one
E613-0047 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-(2-ethylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0047
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-1-(2-ethylpiperidin-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

E613-0047

Molecular Formula

C20H24N2O5 (C20 H24 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCC(CCCC1)N1C(COCc1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C20H24N2O5/c1-2-16-5-3-4-8-22(16)20(23)12-24-11-15-10-18(27-21-15)14-6-7-17-19(9-14)26-13-25-17/h6-7,9-10,16H,2-5,8,11-13H2,1H3/t16-/m0/s1

InChI Key

TURSCTLRQUWINP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14903987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.22

Polar Surface Area

63.586

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E613-0047 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 E613-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0047?
Check Price and Availability of E613-0047, 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 E613-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0047
  • 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 E613-0047 available by request