3461-2916 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-N-(3-nitrobenzenesulfonyl)benzamide

3461-2916 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-N-(3-nitrobenzenesulfonyl)benzamide
3461-2916 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-N-(3-nitrobenzenesulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2916
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-N-(3-nitrobenzenesulfonyl)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

3461-2916

Molecular Formula

C24H17ClN2O7S (C24 H17 ClN2 O7 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-N-(3-nitrobenzenesulfonyl)benzamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2-chloro-N-(3-nitrobenzenesulfonyl)benzamide

SMILES

CC(c1c(C)oc(cc2)c1cc2N(C(c(cccc1)c1Cl)=O)S(c1cc([N+]([O-])=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C24H17ClN2O7S/c1-14(28)23-15(2)34-22-11-10-16(13-20(22)23)26(24(29)19-8-3-4-9-21(19)25)35(32,33)18-7-5-6-17(12-18)27(30)31/h3-13H,1-2H3

InChI Key

RXXHJIPLNWEYCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.93

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.85

Polar Surface Area

100.702

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-19.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 3461-2916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2916?
Check Price and Availability of 3461-2916, 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 3461-2916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2916
  • 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 3461-2916 available by request