D076-0206 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-3-methoxybenzamide

D076-0206 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-3-methoxybenzamide
D076-0206 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0206
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-3-methoxybenzamide

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

D076-0206

Molecular Formula

C19H20FNO4S (C19 H20 FNO4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(2-fluorobenzyl)-3-methoxybenzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(2-fluorophenyl)methyl]-3-methoxybenzamide

SMILES

COc1cccc(C(N(Cc(cccc2)c2F)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C19H20FNO4S/c1-25-17-7-4-6-14(11-17)19(22)21(16-9-10-26(23,24)13-16)12-15-5-2-3-8-18(15)20/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1

InChI Key

IIDDDFYSKGTXBT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06646531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-2.77

Polar Surface Area

51.403

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D076-0206 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 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 D076-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0206?
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What is the minimum amount of D076-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0206
  • 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 D076-0206 available by request