Y040-3181 Screening compound: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

Y040-3181 Screening compound: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
Y040-3181 Screening compound: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3181
1-[4-(diphenylmethyl)piperazin-1-yl]-2-(1H-indol-3-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

Y040-3181

Molecular Formula

C27H27N3O (C27 H27 N3 O)

Compound Name

1-[4-(diphenylmethyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

IUPAC name

1-[4-(diphenylmethyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethan-1-one

SMILES

O=C(Cc1c[nH]c2c1cccc2)N(CC1)CCN1C(c1ccccc1)c1ccccc1

InChI

InChI=1S/C27H27N3O/c31-26(19-23-20-28-25-14-8-7-13-24(23)25)29-15-17-30(18-16-29)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,20,27-28H,15-19H2

InChI Key

KYMOTTJXKAHOBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08748309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

4.796

Water Solubility, LogSw

-4.99

Polar Surface Area

28.791

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y040-3181 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-3181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3181?
Check Price and Availability of Y040-3181, 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 Y040-3181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3181
  • 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 Y040-3181 available by request