3381-0252 Screening compound: 1-[(2-bromophenyl)methyl]-4-(4-fluorobenzoyl)piperazine

3381-0252 Screening compound: 1-[(2-bromophenyl)methyl]-4-(4-fluorobenzoyl)piperazine
3381-0252 Screening compound: 1-[(2-bromophenyl)methyl]-4-(4-fluorobenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0252
1-[(2-bromophenyl)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

3381-0252

Molecular Formula

C18H18BrFN2O (C18 H18 BrFN2 O)

Compound Name

1-[(2-bromophenyl)methyl]-4-(4-fluorobenzoyl)piperazine

IUPAC name

1-[(2-bromophenyl)methyl]-4-(4-fluorobenzoyl)piperazine

SMILES

O=C(c(cc1)ccc1F)N1CCN(Cc(cccc2)c2Br)CC1

InChI

InChI=1S/C18H18BrFN2O/c19-17-4-2-1-3-15(17)13-21-9-11-22(12-10-21)18(23)14-5-7-16(20)8-6-14/h1-8H,9-13H2

InChI Key

ALFXWENBLFJONZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816466

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

377.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.13

Polar Surface Area

20.427

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3381-0252 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3381-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0252?
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What is the minimum amount of 3381-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0252
  • 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 3381-0252 available by request