E213-1242 Screening compound: N-(4-bromo-2-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide

E213-1242 Screening compound: N-(4-bromo-2-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
E213-1242 Screening compound: N-(4-bromo-2-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-1242
N-(4-bromo-2-methylphenyl)-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

E213-1242

Molecular Formula

C17H14BrNO2S (C17 H14 BrNO2 S)

Compound Name

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

IUPAC name

N-(4-bromo-2-methylphenyl)-4-oxo-34-dihydro-2H-1-benzothiopyran-8-carboxamide

SMILES

Cc(cc(cc1)Br)c1NC(c(cccc12)c1SCCC2=O)=O

InChI

InChI=1S/C17H14BrNO2S/c1-10-9-11(18)5-6-14(10)19-17(21)13-4-2-3-12-15(20)7-8-22-16(12)13/h2-6,9H,7-8H2,1H3,(H,19,21)

InChI Key

NZDTWPFWHRVRTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.18

Polar Surface Area

35.800

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E213-1242 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E213-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-1242?
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What is the minimum amount of E213-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-1242
  • 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 E213-1242 available by request