Y070-4093 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-fluorobenzyl)-2-furamide

Y070-4093 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-fluorobenzyl)-2-furamide
Y070-4093 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-fluorobenzyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4093
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-fluorobenzyl)-2-furamide

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

Y070-4093

Molecular Formula

C16H16FNO4S (C16 H16 FNO4 S)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-fluorobenzyl)-2-furamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

SMILES

O=C(c1ccco1)N(Cc(cc1)ccc1F)C(CC1)CS1(=O)=O

InChI

InChI=1S/C16H16FNO4S/c17-13-5-3-12(4-6-13)10-18(14-7-9-23(20,21)11-14)16(19)15-2-1-8-22-15/h1-6,8,14H,7,9-11H2/t14-/m1/s1

InChI Key

HFEBVZUYCWNCDW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04178066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

1.199

Water Solubility, LogSw

-2.09

Polar Surface Area

52.438

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

Y070-4093 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y070-4093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4093?
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What is the minimum amount of Y070-4093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4093
  • 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 Y070-4093 available by request