Y041-0680 Screening compound: 2-(4-chloro-1H-indol-1-yl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

Y041-0680 Screening compound: 2-(4-chloro-1H-indol-1-yl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
Y041-0680 Screening compound: 2-(4-chloro-1H-indol-1-yl)-1-(4-phenylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0680
2-(4-chloro-1H-indol-1-yl)-1-(4-phenylpiperazin-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

Y041-0680

Molecular Formula

C20H20ClN3O (C20 H20 ClN3 O)

Compound Name

2-(4-chloro-1H-indol-1-yl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

IUPAC name

2-(4-chloro-1H-indol-1-yl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

SMILES

O=C(Cn1c2cccc(Cl)c2cc1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C20H20ClN3O/c21-18-7-4-8-19-17(18)9-10-24(19)15-20(25)23-13-11-22(12-14-23)16-5-2-1-3-6-16/h1-10H,11-15H2

InChI Key

ODUBADWWJDWLJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16624034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.575

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-3.55

Polar Surface Area

21.730

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y041-0680 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0680?
Check Price and Availability of Y041-0680, 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 Y041-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0680
  • 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 Y041-0680 available by request