6214-0827 Screening compound: N~2~-benzyl-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide

6214-0827 Screening compound: N~2~-benzyl-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
6214-0827 Screening compound: N~2~-benzyl-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 6214-0827
N~2~-benzyl-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

6214-0827

Molecular Formula

C21H21NO4S (C21 H21 NO4 S)

Compound Name

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

IUPAC name

N-benzyl-N-(11-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(N(Cc2ccccc2)C(CC2)CS2(=O)=O)=O)oc2c1cccc2

InChI

InChI=1S/C21H21NO4S/c1-15-18-9-5-6-10-19(18)26-20(15)21(23)22(13-16-7-3-2-4-8-16)17-11-12-27(24,25)14-17/h2-10,17H,11-14H2,1H3/t17-/m1/s1

InChI Key

CFNGLJYAAVMDCZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05693213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

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

3.134

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.21

Polar Surface Area

52.386

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

6214-0827 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)

GPCR Targeted Library (31838 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6214-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0827?
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What is the minimum amount of 6214-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0827
  • 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 6214-0827 available by request