4092-0085 Screening compound: 2-(4-chlorophenoxy)-1-[4-(3-pyridylcarbonyl)piperazino]-1-ethanone

4092-0085 Screening compound: 2-(4-chlorophenoxy)-1-[4-(3-pyridylcarbonyl)piperazino]-1-ethanone
4092-0085 Screening compound: 2-(4-chlorophenoxy)-1-[4-(3-pyridylcarbonyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0085
2-(4-chlorophenoxy)-1-[4-(3-pyridylcarbonyl)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

4092-0085

Molecular Formula

C18H18ClN3O3 (C18 H18 ClN3 O3)

Compound Name

2-(4-chlorophenoxy)-1-[4-(3-pyridylcarbonyl)piperazino]-1-ethanone

IUPAC name

2-(4-chlorophenoxy)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(COc(cc1)ccc1Cl)N(CC1)CCN1C(c1cnccc1)=O

InChI

InChI=1S/C18H18ClN3O3/c19-15-3-5-16(6-4-15)25-13-17(23)21-8-10-22(11-9-21)18(24)14-2-1-7-20-12-14/h1-7,12H,8-11,13H2

InChI Key

FYPZAJJDRMJDKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02212996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.977

Distribution Coefficient, logD

0.976

Water Solubility, LogSw

-1.99

Polar Surface Area

49.832

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

4092-0085 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4092-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0085?
Check Price and Availability of 4092-0085, 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 4092-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0085
  • 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 4092-0085 available by request