E613-0118 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-(2,5-difluorophenyl)acetamide

E613-0118 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-(2,5-difluorophenyl)acetamide
E613-0118 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-(2,5-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0118
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-(2,5-difluorophenyl)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

E613-0118

Molecular Formula

C19H14F2N2O5 (C19 H14 F2 N2 O5)

Compound Name

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

IUPAC name

2-{[5-(2H-13-benzodioxol-5-yl)-12-oxazol-3-yl]methoxy}-N-(25-difluorophenyl)acetamide

SMILES

O=C(COCc1noc(-c(cc2)cc3c2OCO3)c1)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C19H14F2N2O5/c20-12-2-3-14(21)15(6-12)22-19(24)9-25-8-13-7-17(28-23-13)11-1-4-16-18(5-11)27-10-26-16/h1-7H,8-10H2,(H,22,24)

InChI Key

QZNADCNPURXIPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.71

Polar Surface Area

69.999

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E613-0118 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E613-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0118?
Check Price and Availability of E613-0118, 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 E613-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0118
  • 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 E613-0118 available by request