4049-0191 Screening compound: N-(3-acetylphenyl)-4-nitrobenzene-1-sulfonamide

4049-0191 Screening compound: N-(3-acetylphenyl)-4-nitrobenzene-1-sulfonamide
4049-0191 Screening compound: N-(3-acetylphenyl)-4-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4049-0191
N-(3-acetylphenyl)-4-nitrobenzene-1-sulfonamide

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

4049-0191

Molecular Formula

C14H12N2O5S (C14 H12 N2 O5 S)

Compound Name

N-(3-acetylphenyl)-4-nitrobenzene-1-sulfonamide

IUPAC name

N-(3-acetylphenyl)-4-nitrobenzene-1-sulfonamide

SMILES

CC(c1cccc(NS(c(cc2)ccc2[N+]([O-])=O)(=O)=O)c1)=O

InChI

InChI=1S/C14H12N2O5S/c1-10(17)11-3-2-4-12(9-11)15-22(20,21)14-7-5-13(6-8-14)16(18)19/h2-9,15H,1H3

InChI Key

FAHWFTCDFDDNQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00577513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

1.160

Water Solubility, LogSw

-3.12

Polar Surface Area

88.096

Acid Dissociation Constant (pKa)

5.98

Base Dissociation Constant (pKb)

-12.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

4049-0191 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 4049-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4049-0191?
Check Price and Availability of 4049-0191, 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 4049-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4049-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4049-0191
  • 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 4049-0191 available by request