E613-1128 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-1128 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-1128 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-1128
N-(3-chloro-4-methylphenyl)-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

E613-1128

Molecular Formula

C17H15ClN2O4 (C17 H15 ClN2 O4)

Compound Name

N-(3-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{[5-(furan-2-yl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

Cc(ccc(NC(COCc1noc(-c2ccco2)c1)=O)c1)c1Cl

InChI

InChI=1S/C17H15ClN2O4/c1-11-4-5-12(7-14(11)18)19-17(21)10-22-9-13-8-16(24-20-13)15-3-2-6-23-15/h2-8H,9-10H2,1H3,(H,19,21)

InChI Key

BBFRXBNSYWIYSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.77

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

3.989

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.24

Polar Surface Area

62.159

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E613-1128 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E613-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-1128?
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What is the minimum amount of E613-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-1128
  • 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 E613-1128 available by request