4964-3062 Screening compound: 1-[(4-bromophenyl)methyl]-4-[(pyridin-4-yl)methyl]piperazine

4964-3062 Screening compound: 1-[(4-bromophenyl)methyl]-4-[(pyridin-4-yl)methyl]piperazine
4964-3062 Screening compound: 1-[(4-bromophenyl)methyl]-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-3062
1-[(4-bromophenyl)methyl]-4-[(pyridin-4-yl)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

4964-3062

Molecular Formula

C17H20BrN3 (C17 H20 BrN3)

Compound Name

1-[(4-bromophenyl)methyl]-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-[(4-bromophenyl)methyl]-4-[(pyridin-4-yl)methyl]piperazine

SMILES

Brc1ccc(CN2CCN(Cc3ccncc3)CC2)cc1

InChI

InChI=1S/C17H20BrN3/c18-17-3-1-15(2-4-17)13-20-9-11-21(12-10-20)14-16-5-7-19-8-6-16/h1-8H,9-14H2

InChI Key

PORRAMDPAOUVRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107359

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

346.27

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

2.421

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-2.11

Polar Surface Area

16.940

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

4964-3062 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4964-3062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-3062?
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What is the minimum amount of 4964-3062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-3062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-3062
  • 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 4964-3062 available by request