5591-3434 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,5-dimethylbenzenesulfonyl)acetamide

5591-3434 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,5-dimethylbenzenesulfonyl)acetamide
5591-3434 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,5-dimethylbenzenesulfonyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3434
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,5-dimethylbenzenesulfonyl)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

5591-3434

Molecular Formula

C21H21NO5S (C21 H21 NO5 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,5-dimethylbenzenesulfonyl)acetamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(25-dimethylbenzenesulfonyl)acetamide

SMILES

CC(c1c(C)oc(cc2)c1cc2N(C(C)=O)S(c1c(C)ccc(C)c1)(=O)=O)=O

InChI

InChI=1S/C21H21NO5S/c1-12-6-7-13(2)20(10-12)28(25,26)22(16(5)24)17-8-9-19-18(11-17)21(14(3)23)15(4)27-19/h6-11H,1-5H3

InChI Key

RQNIWOFEDNHZJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

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

3.641

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-4.06

Polar Surface Area

68.060

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-15.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

5591-3434 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5591-3434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3434?
Check Price and Availability of 5591-3434, 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 5591-3434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3434
  • 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 5591-3434 available by request