Y043-4117 Screening compound: N~6~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-indole-6-carboxamide

Y043-4117 Screening compound: N~6~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-indole-6-carboxamide
Y043-4117 Screening compound: N~6~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-indole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4117
N~6~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-indole-6-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

Y043-4117

Molecular Formula

C13H14N2O3S (C13 H14 N2 O3 S)

Compound Name

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

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-1H-indole-6-carboxamide

SMILES

O=C(c1cc([nH]cc2)c2cc1)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C13H14N2O3S/c16-13(15-11-4-6-19(17,18)8-11)10-2-1-9-3-5-14-12(9)7-10/h1-3,5,7,11,14H,4,6,8H2,(H,15,16)/t11-/m1/s1

InChI Key

TXDJLJGFZOFTMH-LLVKDONJSA-N

MDL Number (MFCD)

MFCD13542214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.771

Distribution Coefficient, logD

0.771

Water Solubility, LogSw

-2.46

Polar Surface Area

62.595

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

Y043-4117 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Arginase Targeted Library (2009 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y043-4117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4117?
Check Price and Availability of Y043-4117, 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 Y043-4117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4117
  • 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 Y043-4117 available by request