E613-0189 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-methylacetamide

E613-0189 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-methylacetamide
E613-0189 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0189
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-methylacetamide

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

E613-0189

Molecular Formula

C14H14N2O5 (C14 H14 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CNC(COCc1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C14H14N2O5/c1-15-14(17)7-18-6-10-5-12(21-16-10)9-2-3-11-13(4-9)20-8-19-11/h2-5H,6-8H2,1H3,(H,15,17)

InChI Key

XGUUZDBUJDQZGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.205

Distribution Coefficient, logD

1.205

Water Solubility, LogSw

-2.05

Polar Surface Area

72.441

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E613-0189 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E613-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0189?
Check Price and Availability of E613-0189, 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 E613-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0189
  • 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 E613-0189 available by request