3381-0237 Screening compound: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine

3381-0237 Screening compound: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine
3381-0237 Screening compound: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0237
1-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine

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

3381-0237

Molecular Formula

C20H23FN2O3 (C20 H23 FN2 O3)

Compound Name

1-[(2,5-dimethoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine

IUPAC name

1-[(25-dimethoxyphenyl)methyl]-4-(4-fluorobenzoyl)piperazine

SMILES

COc(cc1)cc(CN(CC2)CCN2C(c(cc2)ccc2F)=O)c1OC

InChI

InChI=1S/C20H23FN2O3/c1-25-18-7-8-19(26-2)16(13-18)14-22-9-11-23(12-10-22)20(24)15-3-5-17(21)6-4-15/h3-8,13H,9-12,14H2,1-2H3

InChI Key

NNMBVLOFYHUQKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816455

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

358.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-2.75

Polar Surface Area

35.601

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

3381-0237 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with 3381-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0237?
Check Price and Availability of 3381-0237, 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 3381-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0237
  • 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 3381-0237 available by request