4092-0190 Screening compound: 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethan-1-one

4092-0190 Screening compound: 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethan-1-one
4092-0190 Screening compound: 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0190
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethan-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

4092-0190

Molecular Formula

C21H24N2O4 (C21 H24 N2 O4)

Compound Name

1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethan-1-one

IUPAC name

n/a

SMILES

COc(ccc(C(N(CC1)CCN1C(Cc1ccccc1)=O)=O)c1)c1OC

InChI

InChI=1S/C21H24N2O4/c1-26-18-9-8-17(15-19(18)27-2)21(25)23-12-10-22(11-13-23)20(24)14-16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3

InChI Key

CQTBABUDMNOWAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02374631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

1.713

Water Solubility, LogSw

-2.00

Polar Surface Area

48.076

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4092-0190 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4092-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0190?
Check Price and Availability of 4092-0190, 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 4092-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0190
  • 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 4092-0190 available by request