Y041-7059 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-1H-indole-3-carboxamide

Y041-7059 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-1H-indole-3-carboxamide
Y041-7059 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-1H-indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7059
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-1H-indole-3-carboxamide

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

Y041-7059

Molecular Formula

C16H20N2O4S (C16 H20 N2 O4 S)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-1H-indole-3-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-1-(2-methoxyethyl)-1H-indole-3-carboxamide

SMILES

COCCn1c(cccc2)c2c(C(NC(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C16H20N2O4S/c1-22-8-7-18-10-14(13-4-2-3-5-15(13)18)16(19)17-12-6-9-23(20,21)11-12/h2-5,10,12H,6-9,11H2,1H3,(H,17,19)/t12-/m1/s1

InChI Key

SGUBPXQTAGKAOC-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD22582468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.753

Distribution Coefficient, logD

0.753

Water Solubility, LogSw

-2.27

Polar Surface Area

63.139

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

Y041-7059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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 Y041-7059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7059?
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What is the minimum amount of Y041-7059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7059
  • 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 Y041-7059 available by request