6214-0806 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-fluoro-N~1~-(2-thienylmethyl)benzamide

6214-0806 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-fluoro-N~1~-(2-thienylmethyl)benzamide
6214-0806 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-fluoro-N~1~-(2-thienylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6214-0806
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-fluoro-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

6214-0806

Molecular Formula

C16H16FNO3S2 (C16 H16 FNO3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1F)N(Cc1cccs1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C16H16FNO3S2/c17-15-6-2-1-5-14(15)16(19)18(10-13-4-3-8-22-13)12-7-9-23(20,21)11-12/h1-6,8,12H,7,9-11H2/t12-/m1/s1

InChI Key

XJTBCNABBIYXFB-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD04168966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

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

1.978

Distribution Coefficient, logD

1.978

Water Solubility, LogSw

-2.72

Polar Surface Area

44.878

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-6.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

6214-0806 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6214-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6214-0806?
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What is the minimum amount of 6214-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6214-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6214-0806
  • 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 6214-0806 available by request