Y070-4859 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxybenzyl)-4-fluorobenzamide

Y070-4859 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxybenzyl)-4-fluorobenzamide
Y070-4859 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxybenzyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4859
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxybenzyl)-4-fluorobenzamide

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

Y070-4859

Molecular Formula

C20H22FNO4S (C20 H22 FNO4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-ethoxybenzyl)-4-fluorobenzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]-4-fluorobenzamide

SMILES

CCOc1ccc(CN(C(CC2)CS2(=O)=O)C(c(cc2)ccc2F)=O)cc1

InChI

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

InChI Key

FHJHJVAZWDFNTL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04185546

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

2.357

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.63

Polar Surface Area

50.983

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

Y070-4859 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 Y070-4859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4859?
Check Price and Availability of Y070-4859, 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 Y070-4859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4859
  • 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 Y070-4859 available by request