3461-2930 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethylbenzenesulfonyl)butanamide

3461-2930 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethylbenzenesulfonyl)butanamide
3461-2930 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethylbenzenesulfonyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2930
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethylbenzenesulfonyl)butanamide

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

3461-2930

Molecular Formula

C23H25NO5S (C23 H25 NO5 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethylbenzenesulfonyl)butanamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-ethylbenzenesulfonyl)butanamide

SMILES

CCCC(N(c(cc1)cc2c1oc(C)c2C(C)=O)S(c1ccc(CC)cc1)(=O)=O)=O

InChI

InChI=1S/C23H25NO5S/c1-5-7-22(26)24(30(27,28)19-11-8-17(6-2)9-12-19)18-10-13-21-20(14-18)23(15(3)25)16(4)29-21/h8-14H,5-7H2,1-4H3

InChI Key

HNZQDLCCJXQRJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.948

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-4.83

Polar Surface Area

67.064

Acid Dissociation Constant (pKa)

20.98

Base Dissociation Constant (pKb)

-14.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

3461-2930 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3461-2930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2930?
Check Price and Availability of 3461-2930, 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 3461-2930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2930
  • 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 3461-2930 available by request