6214-0930 Screening compound: (E)-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-(2-furyl)-2-propenamide

6214-0930 Screening compound: (E)-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-(2-furyl)-2-propenamide
6214-0930 Screening compound: (E)-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-(2-furyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0930
(E)-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-(2-furyl)-2-propenamide

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

6214-0930

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

(E)-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-(2-furyl)-2-propenamide

IUPAC name

(2E)-N-{[4-(dimethylamino)phenyl]methyl}-N-(11-dioxo-1lambda6-thiolan-3-yl)-3-(furan-2-yl)prop-2-enamide

SMILES

CN(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(/C=C/c2ccco2)=O)cc1

InChI

InChI=1S/C20H24N2O4S/c1-21(2)17-7-5-16(6-8-17)14-22(18-11-13-27(24,25)15-18)20(23)10-9-19-4-3-12-26-19/h3-10,12,18H,11,13-15H2,1-2H3/t18-/m1/s1

InChI Key

SMGZHERDUIIRJZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04009235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.683

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-2.29

Polar Surface Area

53.886

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

6214-0930 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6214-0930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0930?
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What is the minimum amount of 6214-0930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0930
  • 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 6214-0930 available by request