E613-0797 Screening compound: N-[(4-methylphenyl)methyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-0797 Screening compound: N-[(4-methylphenyl)methyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-0797 Screening compound: N-[(4-methylphenyl)methyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0797
N-[(4-methylphenyl)methyl]-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

E613-0797

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(COCc2noc(-c3cccs3)c2)=O)cc1

InChI

InChI=1S/C18H18N2O3S/c1-13-4-6-14(7-5-13)10-19-18(21)12-22-11-15-9-16(23-20-15)17-3-2-8-24-17/h2-9H,10-12H2,1H3,(H,19,21)

InChI Key

IKGVJPXBUGIABP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.284

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.37

Polar Surface Area

55.922

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E613-0797 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E613-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0797?
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What is the minimum amount of E613-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0797
  • 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 E613-0797 available by request