K062-0076 Screening compound: N-(3-chlorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

K062-0076 Screening compound: N-(3-chlorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
K062-0076 Screening compound: N-(3-chlorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K062-0076
N-(3-chlorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

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

K062-0076

Molecular Formula

C17H17ClN4O3 (C17 H17 ClN4 O3)

Compound Name

N-(3-chlorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

IUPAC name

N-(3-chlorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(Nc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C17H17ClN4O3/c18-13-2-1-3-14(12-13)19-17(23)21-10-8-20(9-11-21)15-4-6-16(7-5-15)22(24)25/h1-7,12H,8-11H2,(H,19,23)

InChI Key

VUHDRDOYRQRLIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00248280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.29

Polar Surface Area

62.349

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

K062-0076 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K062-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K062-0076?
Check Price and Availability of K062-0076, 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 K062-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K062-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K062-0076
  • 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 K062-0076 available by request