4092-0436 Screening compound: 2-(4-chlorophenoxy)-1-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}ethan-1-one

4092-0436 Screening compound: 2-(4-chlorophenoxy)-1-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}ethan-1-one
4092-0436 Screening compound: 2-(4-chlorophenoxy)-1-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0436
2-(4-chlorophenoxy)-1-{4-[(3-fluorophenyl)methyl]piperazin-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

4092-0436

Molecular Formula

C19H20ClFN2O2 (C19 H20 ClFN2 O2)

Compound Name

2-(4-chlorophenoxy)-1-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(4-chlorophenoxy)-1-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}ethan-1-one

SMILES

O=C(COc(cc1)ccc1Cl)N1CCN(Cc2cc(F)ccc2)CC1

InChI

InChI=1S/C19H20ClFN2O2/c20-16-4-6-18(7-5-16)25-14-19(24)23-10-8-22(9-11-23)13-15-2-1-3-17(21)12-15/h1-7,12H,8-11,13-14H2

InChI Key

UDXGCFDFJZNQPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02213159

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

362.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.30

Polar Surface Area

27.399

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

4092-0436 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4092-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0436?
Check Price and Availability of 4092-0436, 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 4092-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0436
  • 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 4092-0436 available by request