D076-0182 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxy-N~1~-(3-fluorobenzyl)benzamide

D076-0182 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxy-N~1~-(3-fluorobenzyl)benzamide
D076-0182 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxy-N~1~-(3-fluorobenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0182
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxy-N~1~-(3-fluorobenzyl)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

D076-0182

Molecular Formula

C20H22FNO4S (C20 H22 FNO4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-ethoxy-N~1~-(3-fluorobenzyl)benzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-3-ethoxy-N-[(3-fluorophenyl)methyl]benzamide

SMILES

CCOc1cccc(C(N(Cc2cc(F)ccc2)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C20H22FNO4S/c1-2-26-19-8-4-6-16(12-19)20(23)22(18-9-10-27(24,25)14-18)13-15-5-3-7-17(21)11-15/h3-8,11-12,18H,2,9-10,13-14H2,1H3/t18-/m1/s1

InChI Key

NLRFQXHFRTWCKB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06648786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.46

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

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-2.73

Polar Surface Area

50.983

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-6.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D076-0182 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
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 D076-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0182?
Check Price and Availability of D076-0182, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D076-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0182
  • 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 D076-0182 available by request