5532-1112 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

5532-1112 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
5532-1112 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5532-1112
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(pyridin-2-yl)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

5532-1112

Molecular Formula

C19H22ClN3O2 (C19 H22 ClN3 O2)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

Cc1cc(OCC(N(CC2)CCN2c2ncccc2)=O)cc(C)c1Cl

InChI

InChI=1S/C19H22ClN3O2/c1-14-11-16(12-15(2)19(14)20)25-13-18(24)23-9-7-22(8-10-23)17-5-3-4-6-21-17/h3-6,11-12H,7-10,13H2,1-2H3

InChI Key

AIXXMFBYDLOLAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01985943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-4.33

Polar Surface Area

35.630

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

5532-1112 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5532-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5532-1112?
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What is the minimum amount of 5532-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5532-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5532-1112
  • 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 5532-1112 available by request