6214-0807 Screening compound: 3-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-thienylmethyl)benzamide

6214-0807 Screening compound: 3-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-thienylmethyl)benzamide
6214-0807 Screening compound: 3-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-thienylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0807
3-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-thienylmethyl)benzamide

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

6214-0807

Molecular Formula

C16H16ClNO3S2 (C16 H16 ClNO3 S2)

Compound Name

3-chloro-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-thienylmethyl)benzamide

IUPAC name

3-chloro-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(thiophen-2-yl)methyl]benzamide

SMILES

O=C(c1cccc(Cl)c1)N(Cc1cccs1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C16H16ClNO3S2/c17-13-4-1-3-12(9-13)16(19)18(10-15-5-2-7-22-15)14-6-8-23(20,21)11-14/h1-5,7,9,14H,6,8,10-11H2/t14-/m0/s1

InChI Key

MKMJZARPLQWDBB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04009290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-3.13

Polar Surface Area

44.878

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

6214-0807 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6214-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0807?
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What is the minimum amount of 6214-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0807
  • 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 6214-0807 available by request