E213-1420 Screening compound: N-[2-(3-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide

E213-1420 Screening compound: N-[2-(3-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
E213-1420 Screening compound: N-[2-(3-methylphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-1420
N-[2-(3-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

E213-1420

Molecular Formula

C19H19NO2S (C19 H19 NO2 S)

Compound Name

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

IUPAC name

N-[2-(3-methylphenyl)ethyl]-4-oxo-34-dihydro-2H-1-benzothiopyran-8-carboxamide

SMILES

Cc1cccc(CCNC(c2cccc3c2SCCC3=O)=O)c1

InChI

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

InChI Key

NJLMTBSUGKQMCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847610

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

3.519

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-3.80

Polar Surface Area

37.662

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with E213-1420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-1420?
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What is the minimum amount of E213-1420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-1420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-1420
  • 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 E213-1420 available by request