3448-8656 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-2-nitroaniline

3448-8656 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-2-nitroaniline
3448-8656 Screening compound: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-8656
5-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-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

3448-8656

Molecular Formula

C19H22N4O4S (C19 H22 N4 O4 S)

Compound Name

5-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-2-nitroaniline

IUPAC name

5-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropyl-2-nitroaniline

SMILES

[O-][N+](c(ccc(N(CC1)CCN1S(c1ccccc1)(=O)=O)c1)c1NC1CC1)=O

InChI

InChI=1S/C19H22N4O4S/c24-23(25)19-9-8-16(14-18(19)20-15-6-7-15)21-10-12-22(13-11-21)28(26,27)17-4-2-1-3-5-17/h1-5,8-9,14-15,20H,6-7,10-13H2

InChI Key

VUTDROZWHNDTQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02153060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.67

Polar Surface Area

77.883

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3448-8656 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3448-8656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-8656?
Check Price and Availability of 3448-8656, 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 3448-8656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-8656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-8656
  • 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 3448-8656 available by request