4262-0325 Screening compound: 1-(2-nitrobenzyl)-4-(2-pyridylmethyl)piperazine

4262-0325 Screening compound: 1-(2-nitrobenzyl)-4-(2-pyridylmethyl)piperazine
4262-0325 Screening compound: 1-(2-nitrobenzyl)-4-(2-pyridylmethyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4262-0325
1-(2-nitrobenzyl)-4-(2-pyridylmethyl)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

4262-0325

Molecular Formula

C17H20N4O2 (C17 H20 N4 O2)

Compound Name

1-(2-nitrobenzyl)-4-(2-pyridylmethyl)piperazine

IUPAC name

1-[(2-nitrophenyl)methyl]-4-[(pyridin-2-yl)methyl]piperazine

SMILES

[O-][N+](c1c(CN2CCN(Cc3ncccc3)CC2)cccc1)=O

InChI

InChI=1S/C17H20N4O2/c22-21(23)17-7-2-1-5-15(17)13-19-9-11-20(12-10-19)14-16-6-3-4-8-18-16/h1-8H,9-14H2

InChI Key

KSWIZWIRPZPLCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02825812

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.825

Distribution Coefficient, logD

1.752

Water Solubility, LogSw

-1.91

Polar Surface Area

50.135

Acid Dissociation Constant (pKa)

28.20

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

4262-0325 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4262-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4262-0325?
Check Price and Availability of 4262-0325, 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 4262-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4262-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4262-0325
  • 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 4262-0325 available by request