Y070-4423 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorobenzyl)-3-methylbutanamide

Y070-4423 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorobenzyl)-3-methylbutanamide
Y070-4423 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorobenzyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4423
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorobenzyl)-3-methylbutanamide

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

Y070-4423

Molecular Formula

C16H22FNO3S (C16 H22 FNO3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H22FNO3S/c1-12(2)9-16(19)18(15-7-8-22(20,21)11-15)10-13-3-5-14(17)6-4-13/h3-6,12,15H,7-11H2,1-2H3/t15-/m1/s1

InChI Key

JKRVGIHAVAPLJO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04164676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.816

Distribution Coefficient, logD

1.816

Water Solubility, LogSw

-2.44

Polar Surface Area

43.604

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

Y070-4423 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • 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 Y070-4423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4423?
Check Price and Availability of Y070-4423, 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 Y070-4423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4423
  • 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 Y070-4423 available by request