Y041-8143 Screening compound: 3-(2,3-dihydro-1-benzofuran-5-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)propanamide

Y041-8143 Screening compound: 3-(2,3-dihydro-1-benzofuran-5-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)propanamide
Y041-8143 Screening compound: 3-(2,3-dihydro-1-benzofuran-5-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8143
3-(2,3-dihydro-1-benzofuran-5-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)propanamide

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

Y041-8143

Molecular Formula

C15H19NO4S (C15 H19 NO4 S)

Compound Name

3-(2,3-dihydro-1-benzofuran-5-yl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)propanamide

IUPAC name

3-(23-dihydro-1-benzofuran-5-yl)-N-(11-dioxo-1lambda6-thiolan-3-yl)propanamide

SMILES

O=C(CCc(cc1)cc2c1OCC2)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C15H19NO4S/c17-15(16-13-6-8-21(18,19)10-13)4-2-11-1-3-14-12(9-11)5-7-20-14/h1,3,9,13H,2,4-8,10H2,(H,16,17)/t13-/m1/s1

InChI Key

IQYSRXQTNKICLL-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD28366927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.742

Distribution Coefficient, logD

0.742

Water Solubility, LogSw

-2.23

Polar Surface Area

60.839

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

Y041-8143 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Arginase Targeted Library (2009 compounds)

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

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-8143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8143?
Check Price and Availability of Y041-8143, 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 Y041-8143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8143
  • 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 Y041-8143 available by request