E213-1451 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide

E213-1451 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
E213-1451 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-1451
N-[2-(4-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide

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

E213-1451

Molecular Formula

C19H19NO2S (C19 H19 NO2 S)

Compound Name

N-[2-(4-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide

IUPAC name

N-[2-(4-methylphenyl)ethyl]-4-oxo-34-dihydro-2H-1-benzothiopyran-8-carboxamide

SMILES

Cc1ccc(CCNC(c2cccc3c2SCCC3=O)=O)cc1

InChI

InChI=1S/C19H19NO2S/c1-13-5-7-14(8-6-13)9-11-20-19(22)16-4-2-3-15-17(21)10-12-23-18(15)16/h2-8H,9-12H2,1H3,(H,20,22)

InChI Key

QYDFAFZLJIBBNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.81

Polar Surface Area

37.662

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E213-1451 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E213-1451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-1451?
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What is the minimum amount of E213-1451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-1451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-1451
  • 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 E213-1451 available by request