Y041-6891 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxy-1H-indol-1-yl)acetamide

Y041-6891 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxy-1H-indol-1-yl)acetamide
Y041-6891 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxy-1H-indol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6891
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxy-1H-indol-1-yl)acetamide

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

Y041-6891

Molecular Formula

C15H18N2O4S (C15 H18 N2 O4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-methoxy-1H-indol-1-yl)acetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(4-methoxy-1H-indol-1-yl)acetamide

SMILES

COc1cccc2c1ccn2CC(NC(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C15H18N2O4S/c1-21-14-4-2-3-13-12(14)5-7-17(13)9-15(18)16-11-6-8-22(19,20)10-11/h2-5,7,11H,6,8-10H2,1H3,(H,16,18)/t11-/m1/s1

InChI Key

CZMWHZMFDZMDAJ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD22586197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.522

Distribution Coefficient, logD

0.522

Water Solubility, LogSw

-2.29

Polar Surface Area

62.342

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y041-6891 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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 Y041-6891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6891?
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What is the minimum amount of Y041-6891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6891
  • 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 Y041-6891 available by request