Y040-9610 Screening compound: 2-(3-acetyl-1H-indol-1-yl)-1-(4-benzylpiperazin-1-yl)ethan-1-one

Y040-9610 Screening compound: 2-(3-acetyl-1H-indol-1-yl)-1-(4-benzylpiperazin-1-yl)ethan-1-one
Y040-9610 Screening compound: 2-(3-acetyl-1H-indol-1-yl)-1-(4-benzylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9610
2-(3-acetyl-1H-indol-1-yl)-1-(4-benzylpiperazin-1-yl)ethan-1-one

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

Y040-9610

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

2-(3-acetyl-1H-indol-1-yl)-1-(4-benzylpiperazin-1-yl)ethan-1-one

IUPAC name

2-(3-acetyl-1H-indol-1-yl)-1-(4-benzylpiperazin-1-yl)ethan-1-one

SMILES

CC(c1cn(CC(N2CCN(Cc3ccccc3)CC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C23H25N3O2/c1-18(27)21-16-26(22-10-6-5-9-20(21)22)17-23(28)25-13-11-24(12-14-25)15-19-7-3-2-4-8-19/h2-10,16H,11-15,17H2,1H3

InChI Key

QKXCBSDMIXFKSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12217284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

2.349

Water Solubility, LogSw

-2.71

Polar Surface Area

35.730

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y040-9610 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y040-9610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9610?
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What is the minimum amount of Y040-9610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9610
  • 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 Y040-9610 available by request