E857-2794 Screening compound: 2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[2-(2-methoxyphenyl)ethyl]acetamide

E857-2794 Screening compound: 2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[2-(2-methoxyphenyl)ethyl]acetamide
E857-2794 Screening compound: 2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[2-(2-methoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E857-2794
2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[2-(2-methoxyphenyl)ethyl]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

E857-2794

Molecular Formula

C23H25ClN2O4S (C23 H25 ClN2 O4 S)

Compound Name

2-[N-(4-chlorophenyl)-1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)formamido]-N-[2-(2-methoxyphenyl)ethyl]acetamide

IUPAC name

2-[N-(4-chlorophenyl)-1-(2-methyl-56-dihydro-14-oxathiin-3-yl)formamido]-N-[2-(2-methoxyphenyl)ethyl]acetamide

SMILES

CC1=C(C(N(CC(NCCc(cccc2)c2OC)=O)c(cc2)ccc2Cl)=O)SCCO1

InChI

InChI=1S/C23H25ClN2O4S/c1-16-22(31-14-13-30-16)23(28)26(19-9-7-18(24)8-10-19)15-21(27)25-12-11-17-5-3-4-6-20(17)29-2/h3-10H,11-15H2,1-2H3,(H,25,27)

InChI Key

NCMFQLKWRXBARV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-3.54

Polar Surface Area

55.803

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E857-2794 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E857-2794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E857-2794?
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What is the minimum amount of E857-2794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E857-2794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E857-2794
  • 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 E857-2794 available by request