2712-0759 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-5-nitrobenzene-1-sulfonamide

2712-0759 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-5-nitrobenzene-1-sulfonamide
2712-0759 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-5-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-0759
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-5-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

2712-0759

Molecular Formula

C17H13ClN2O6S (C17 H13 ClN2 O6 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-5-nitrobenzene-1-sulfonamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-5-nitrobenzene-1-sulfonamide

SMILES

CC(c1c(C)oc(cc2)c1cc2NS(c(cc(cc1)[N+]([O-])=O)c1Cl)(=O)=O)=O

InChI

InChI=1S/C17H13ClN2O6S/c1-9(21)17-10(2)26-15-6-3-11(7-13(15)17)19-27(24,25)16-8-12(20(22)23)4-5-14(16)18/h3-8,19H,1-2H3

InChI Key

DNHZIODQEJAPHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.82

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-4.51

Polar Surface Area

96.044

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

-14.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2712-0759 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 2712-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-0759?
Check Price and Availability of 2712-0759, 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 2712-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-0759
  • 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 2712-0759 available by request