3461-2890 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-chlorobenzenesulfonyl)acetamide

3461-2890 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-chlorobenzenesulfonyl)acetamide
3461-2890 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-chlorobenzenesulfonyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2890
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-chlorobenzenesulfonyl)acetamide

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

3461-2890

Molecular Formula

C19H16ClNO5S (C19 H16 ClNO5 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-chlorobenzenesulfonyl)acetamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-chlorobenzenesulfonyl)acetamide

SMILES

CC(c1c(C)oc(cc2)c1cc2N(C(C)=O)S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C19H16ClNO5S/c1-11(22)19-12(2)26-18-9-6-15(10-17(18)19)21(13(3)23)27(24,25)16-7-4-14(20)5-8-16/h4-10H,1-3H3

InChI Key

MGQNEDIVWFQAME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02106383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-4.40

Polar Surface Area

68.060

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-16.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3461-2890 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 3461-2890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2890?
Check Price and Availability of 3461-2890, 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 3461-2890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2890
  • 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 3461-2890 available by request