6214-0768 Screening compound: 2-(2,6-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-thienylmethyl)acetamide

6214-0768 Screening compound: 2-(2,6-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-thienylmethyl)acetamide
6214-0768 Screening compound: 2-(2,6-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-thienylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0768
2-(2,6-dimethylphenoxy)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-thienylmethyl)acetamide

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

6214-0768

Molecular Formula

C19H23NO4S2 (C19 H23 NO4 S2)

Compound Name

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

IUPAC name

2-(26-dimethylphenoxy)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(thiophen-2-yl)methyl]acetamide

SMILES

Cc1cccc(C)c1OCC(N(Cc1cccs1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C19H23NO4S2/c1-14-5-3-6-15(2)19(14)24-12-18(21)20(11-17-7-4-9-25-17)16-8-10-26(22,23)13-16/h3-7,9,16H,8,10-13H2,1-2H3/t16-/m1/s1

InChI Key

KNFUUSOFLBQEGI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04020717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-2.69

Polar Surface Area

52.023

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

6214-0768 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

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

References: we are preparing a list of scientific research reports with 6214-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0768?
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What is the minimum amount of 6214-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0768
  • 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 6214-0768 available by request