4130-1654 Screening compound: 1-(3-chlorophenyl)-4-(4-nitrobenzenesulfonyl)piperazine

4130-1654 Screening compound: 1-(3-chlorophenyl)-4-(4-nitrobenzenesulfonyl)piperazine
4130-1654 Screening compound: 1-(3-chlorophenyl)-4-(4-nitrobenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-1654
1-(3-chlorophenyl)-4-(4-nitrobenzenesulfonyl)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

4130-1654

Molecular Formula

C16H16ClN3O4S (C16 H16 ClN3 O4 S)

Compound Name

1-(3-chlorophenyl)-4-(4-nitrobenzenesulfonyl)piperazine

IUPAC name

1-(3-chlorophenyl)-4-(4-nitrobenzenesulfonyl)piperazine

SMILES

[O-][N+](c(cc1)ccc1S(N(CC1)CCN1c1cccc(Cl)c1)(=O)=O)=O

InChI

InChI=1S/C16H16ClN3O4S/c17-13-2-1-3-15(12-13)18-8-10-19(11-9-18)25(23,24)16-6-4-14(5-7-16)20(21)22/h1-7,12H,8-11H2

InChI Key

XPJMWZGQPYKFAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00784310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.72

Polar Surface Area

68.591

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4130-1654 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 4130-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-1654?
Check Price and Availability of 4130-1654, 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 4130-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-1654
  • 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 4130-1654 available by request