Y040-9899 Screening compound: 2-(1H-indol-1-yl)-1-[4-(4-nitrophenyl)piperazino]-1-ethanone

Y040-9899 Screening compound: 2-(1H-indol-1-yl)-1-[4-(4-nitrophenyl)piperazino]-1-ethanone
Y040-9899 Screening compound: 2-(1H-indol-1-yl)-1-[4-(4-nitrophenyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9899
2-(1H-indol-1-yl)-1-[4-(4-nitrophenyl)piperazino]-1-ethanone

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

Y040-9899

Molecular Formula

C20H20N4O3 (C20 H20 N4 O3)

Compound Name

2-(1H-indol-1-yl)-1-[4-(4-nitrophenyl)piperazino]-1-ethanone

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(Cn(cc1)c2c1cccc2)=O)=O

InChI

InChI=1S/C20H20N4O3/c25-20(15-23-10-9-16-3-1-2-4-19(16)23)22-13-11-21(12-14-22)17-5-7-18(8-6-17)24(26)27/h1-10H,11-15H2

InChI Key

ZEYYQBBACFOGSI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.267

Distribution Coefficient, logD

3.267

Water Solubility, LogSw

-3.16

Polar Surface Area

55.112

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y040-9899 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-9899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9899?
Check Price and Availability of Y040-9899, 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 Y040-9899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9899
  • 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 Y040-9899 available by request