Y041-7269 Screening compound: N~6~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-isopropyl-1H-indole-6-carboxamide

Y041-7269 Screening compound: N~6~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-isopropyl-1H-indole-6-carboxamide
Y041-7269 Screening compound: N~6~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-isopropyl-1H-indole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7269
N~6~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-isopropyl-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

Y041-7269

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

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

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-1-(propan-2-yl)-1H-indole-6-carboxamide

SMILES

CC(C)n(cc1)c2c1ccc(C(NC(CC1)CS1(=O)=O)=O)c2

InChI

InChI=1S/C16H20N2O3S/c1-11(2)18-7-5-12-3-4-13(9-15(12)18)16(19)17-14-6-8-22(20,21)10-14/h3-5,7,9,11,14H,6,8,10H2,1-2H3,(H,17,19)/t14-/m1/s1

InChI Key

KKZJFPWACGWXBV-CQSZACIVSA-N

MDL Number (MFCD)

MFCD23137465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.592

Distribution Coefficient, logD

1.592

Water Solubility, LogSw

-2.60

Polar Surface Area

55.716

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

Y041-7269 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Soluble Diversity Library (15920 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 Y041-7269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7269?
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What is the minimum amount of Y041-7269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7269
  • 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 Y041-7269 available by request