0868-0130 Screening compound: 3-[(4-acetylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

0868-0130 Screening compound: 3-[(4-acetylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide
0868-0130 Screening compound: 3-[(4-acetylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0868-0130
3-[(4-acetylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

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

0868-0130

Molecular Formula

C21H17N3O6S (C21 H17 N3 O6 S)

Compound Name

3-[(4-acetylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

IUPAC name

3-[(4-acetylphenyl)sulfamoyl]-N-(4-nitrophenyl)benzamide

SMILES

CC(c(cc1)ccc1NS(c1cc(C(Nc(cc2)ccc2[N+]([O-])=O)=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C21H17N3O6S/c1-14(25)15-5-7-18(8-6-15)23-31(29,30)20-4-2-3-16(13-20)21(26)22-17-9-11-19(12-10-17)24(27)28/h2-13,23H,1H3,(H,22,26)

InChI Key

PIMZVSRHGMIQBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00625968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-3.75

Polar Surface Area

111.187

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

0868-0130 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0868-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0868-0130?
Check Price and Availability of 0868-0130, 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 0868-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0868-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0868-0130
  • 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 0868-0130 available by request