E613-0828 Screening compound: N-(3,4-dichlorophenyl)-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-0828 Screening compound: N-(3,4-dichlorophenyl)-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-0828 Screening compound: N-(3,4-dichlorophenyl)-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0828
N-(3,4-dichlorophenyl)-2-{[5-(thiophen-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

E613-0828

Molecular Formula

C16H12Cl2N2O3S (C16 H12 Cl2 N2 O3 S)

Compound Name

N-(3,4-dichlorophenyl)-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-(34-dichlorophenyl)-2-{[5-(thiophen-2-yl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

O=C(COCc1noc(-c2cccs2)c1)Nc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C16H12Cl2N2O3S/c17-12-4-3-10(6-13(12)18)19-16(21)9-22-8-11-7-14(23-20-11)15-2-1-5-24-15/h1-7H,8-9H2,(H,19,21)

InChI Key

QCIQZWRJOMFOAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-4.96

Polar Surface Area

54.599

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E613-0828 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E613-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0828?
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What is the minimum amount of E613-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0828
  • 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 E613-0828 available by request