6214-0729 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-methyl-N~1~-(2-thienylmethyl)benzamide

6214-0729 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-methyl-N~1~-(2-thienylmethyl)benzamide
6214-0729 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-methyl-N~1~-(2-thienylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0729
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-methyl-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

6214-0729

Molecular Formula

C17H19NO3S2 (C17 H19 NO3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(N(Cc1cccs1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C17H19NO3S2/c1-13-5-2-3-7-16(13)17(19)18(11-15-6-4-9-22-15)14-8-10-23(20,21)12-14/h2-7,9,14H,8,10-12H2,1H3/t14-/m1/s1

InChI Key

QLQFXTRIAHQDJP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04148061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.47

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

2.233

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-2.80

Polar Surface Area

44.878

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

6214-0729 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with 6214-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0729?
Check Price and Availability of 6214-0729, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6214-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0729
  • 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 6214-0729 available by request