6214-0716 Screening compound: 3-chloro-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

6214-0716 Screening compound: 3-chloro-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide
6214-0716 Screening compound: 3-chloro-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0716
3-chloro-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)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

6214-0716

Molecular Formula

C20H23ClN2O3S (C20 H23 ClN2 O3 S)

Compound Name

3-chloro-N~1~-[4-(dimethylamino)benzyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

IUPAC name

3-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(11-dioxo-1lambda6-thiolan-3-yl)benzamide

SMILES

CN(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(c2cccc(Cl)c2)=O)cc1

InChI

InChI=1S/C20H23ClN2O3S/c1-22(2)18-8-6-15(7-9-18)13-23(19-10-11-27(25,26)14-19)20(24)16-4-3-5-17(21)12-16/h3-9,12,19H,10-11,13-14H2,1-2H3/t19-/m0/s1

InChI Key

QXSJANOLBTYDMV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04026203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.628

Distribution Coefficient, logD

2.612

Water Solubility, LogSw

-3.36

Polar Surface Area

46.664

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

6214-0716 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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

References: we are preparing a list of scientific research reports with 6214-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0716?
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What is the minimum amount of 6214-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0716
  • 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 6214-0716 available by request