3381-0342 Screening compound: 1-(4-fluorobenzoyl)-4-[(3-methoxyphenyl)methyl]piperazine

3381-0342 Screening compound: 1-(4-fluorobenzoyl)-4-[(3-methoxyphenyl)methyl]piperazine
3381-0342 Screening compound: 1-(4-fluorobenzoyl)-4-[(3-methoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0342
1-(4-fluorobenzoyl)-4-[(3-methoxyphenyl)methyl]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

3381-0342

Molecular Formula

C19H21FN2O2 (C19 H21 FN2 O2)

Compound Name

1-(4-fluorobenzoyl)-4-[(3-methoxyphenyl)methyl]piperazine

IUPAC name

1-(4-fluorobenzoyl)-4-[(3-methoxyphenyl)methyl]piperazine

SMILES

COc1cccc(CN(CC2)CCN2C(c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C19H21FN2O2/c1-24-18-4-2-3-15(13-18)14-21-9-11-22(12-10-21)19(23)16-5-7-17(20)8-6-16/h2-8,13H,9-12,14H2,1H3

InChI Key

MBFBDLQAKHCFKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816512

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.63

Polar Surface Area

27.971

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3381-0342 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3381-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0342?
Check Price and Availability of 3381-0342, 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 3381-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0342
  • 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 3381-0342 available by request