3701-0158 Screening compound: 1-{4-[(2,3-DIMETHOXYPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-1-ONE

3701-0158 Screening compound: 1-{4-[(2,3-DIMETHOXYPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-1-ONE
3701-0158 Screening compound: 1-{4-[(2,3-DIMETHOXYPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0158
1-{4-[(2,3-DIMETHOXYPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-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

3701-0158

Molecular Formula

C21H26N2O4 (C21 H26 N2 O4)

Compound Name

1-{4-[(2,3-DIMETHOXYPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-1-ONE

IUPAC name

1-{4-[(23-dimethoxyphenyl)methyl]piperazin-1-yl}-2-phenoxyethan-1-one

SMILES

COc1cccc(CN(CC2)CCN2C(COc2ccccc2)=O)c1OC

InChI

InChI=1S/C21H26N2O4/c1-25-19-10-6-7-17(21(19)26-2)15-22-11-13-23(14-12-22)20(24)16-27-18-8-4-3-5-9-18/h3-10H,11-16H2,1-2H3

InChI Key

ZWAVUKXMZVLSDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107059

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

1.732

Water Solubility, LogSw

-2.40

Polar Surface Area

42.746

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3701-0158 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3701-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0158?
Check Price and Availability of 3701-0158, 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 3701-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0158
  • 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 3701-0158 available by request