6214-0879 Screening compound: N~2~-(2-chlorobenzyl)-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide

6214-0879 Screening compound: N~2~-(2-chlorobenzyl)-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
6214-0879 Screening compound: N~2~-(2-chlorobenzyl)-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0879
N~2~-(2-chlorobenzyl)-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1-benzofuran-2-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

6214-0879

Molecular Formula

C21H20ClNO4S (C21 H20 ClNO4 S)

Compound Name

N~2~-(2-chlorobenzyl)-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(N(Cc(cccc2)c2Cl)C(CC2)CS2(=O)=O)=O)oc2c1cccc2

InChI

InChI=1S/C21H20ClNO4S/c1-14-17-7-3-5-9-19(17)27-20(14)21(24)23(16-10-11-28(25,26)13-16)12-15-6-2-4-8-18(15)22/h2-9,16H,10-13H2,1H3/t16-/m0/s1

InChI Key

WISXAXGZBUEBRJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04020858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-4.18

Polar Surface Area

52.386

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

6214-0879 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 6214-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0879?
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What is the minimum amount of 6214-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0879
  • 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 6214-0879 available by request