6048-0504 Screening compound: 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

6048-0504 Screening compound: 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
6048-0504 Screening compound: 2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0504
2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-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

6048-0504

Molecular Formula

C20H22ClFN2O2 (C20 H22 ClFN2 O2)

Compound Name

2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

IUPAC name

2-(4-chloro-2-methylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

SMILES

CC(C(N(CC1)CCN1c(cccc1)c1F)=O)Oc(cc1)c(C)cc1Cl

InChI

InChI=1S/C20H22ClFN2O2/c1-14-13-16(21)7-8-19(14)26-15(2)20(25)24-11-9-23(10-12-24)18-6-4-3-5-17(18)22/h3-8,13,15H,9-12H2,1-2H3/t15-/m0/s1

InChI Key

BWCWNDUUQZYMOS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03394393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.863

Distribution Coefficient, logD

4.863

Water Solubility, LogSw

-4.85

Polar Surface Area

26.722

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

6048-0504 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6048-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0504?
Check Price and Availability of 6048-0504, 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 6048-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0504
  • 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 6048-0504 available by request