4244-1546 Screening compound: 5-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline

4244-1546 Screening compound: 5-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline
4244-1546 Screening compound: 5-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-1546
5-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline

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

4244-1546

Molecular Formula

C21H21ClN4O5S (C21 H21 ClN4 O5 S)

Compound Name

5-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline

IUPAC name

5-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline

SMILES

[O-][N+](c(ccc(N(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)c1)c1NCc1ccco1)=O

InChI

InChI=1S/C21H21ClN4O5S/c22-16-3-6-19(7-4-16)32(29,30)25-11-9-24(10-12-25)17-5-8-21(26(27)28)20(14-17)23-15-18-2-1-13-31-18/h1-8,13-14,23H,9-12,15H2

InChI Key

HJTXKJSLOJNLPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.75

Polar Surface Area

85.576

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4244-1546 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4244-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-1546?
Check Price and Availability of 4244-1546, 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 4244-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-1546
  • 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 4244-1546 available by request