E613-1140 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-1140 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-1140 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-1140
N-(2-bromo-4,6-difluorophenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}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

E613-1140

Molecular Formula

C16H11BrF2N2O4 (C16 H11 BrF2 N2 O4)

Compound Name

N-(2-bromo-4,6-difluorophenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-(2-bromo-46-difluorophenyl)-2-{[5-(furan-2-yl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

O=C(COCc1noc(-c2ccco2)c1)Nc(c(F)cc(F)c1)c1Br

InChI

InChI=1S/C16H11BrF2N2O4/c17-11-4-9(18)5-12(19)16(11)20-15(22)8-23-7-10-6-14(25-21-10)13-2-1-3-24-13/h1-6H,7-8H2,(H,20,22)

InChI Key

XKKLCERDBNIUAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-3.17

Polar Surface Area

60.764

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E613-1140 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E613-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-1140?
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What is the minimum amount of E613-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-1140
  • 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 E613-1140 available by request