3461-0983 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide

3461-0983 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide
3461-0983 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0983
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-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

3461-0983

Molecular Formula

C19H19NO4S (C19 H19 NO4 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-ethylbenzene-1-sulfonamide

SMILES

CCc(cc1)ccc1S(Nc(cc1)cc2c1oc(C)c2C(C)=O)(=O)=O

InChI

InChI=1S/C19H19NO4S/c1-4-14-5-8-16(9-6-14)25(22,23)20-15-7-10-18-17(11-15)19(12(2)21)13(3)24-18/h5-11,20H,4H2,1-3H3

InChI Key

LLGNBQSKUFSGNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.310

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.37

Polar Surface Area

62.662

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-11.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3461-0983 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with 3461-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0983?
Check Price and Availability of 3461-0983, 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 3461-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0983
  • 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 3461-0983 available by request