3461-0968 Screening compound: N-(3-acetyl-7-bromo-2-methyl-1-benzofuran-5-yl)-4-methylbenzene-1-sulfonamide

3461-0968 Screening compound: N-(3-acetyl-7-bromo-2-methyl-1-benzofuran-5-yl)-4-methylbenzene-1-sulfonamide
3461-0968 Screening compound: N-(3-acetyl-7-bromo-2-methyl-1-benzofuran-5-yl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0968
N-(3-acetyl-7-bromo-2-methyl-1-benzofuran-5-yl)-4-methylbenzene-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

3461-0968

Molecular Formula

C18H16BrNO4S (C18 H16 BrNO4 S)

Compound Name

N-(3-acetyl-7-bromo-2-methyl-1-benzofuran-5-yl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-(3-acetyl-7-bromo-2-methyl-1-benzofuran-5-yl)-4-methylbenzene-1-sulfonamide

SMILES

CC(c(c1cc(NS(c2ccc(C)cc2)(=O)=O)c2)c(C)oc1c2Br)=O

InChI

InChI=1S/C18H16BrNO4S/c1-10-4-6-14(7-5-10)25(22,23)20-13-8-15-17(11(2)21)12(3)24-18(15)16(19)9-13/h4-9,20H,1-3H3

InChI Key

WWQOQJIJSNAGGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.34

Polar Surface Area

62.895

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

-12.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3461-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0968?
Check Price and Availability of 3461-0968, 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 3461-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0968
  • 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 3461-0968 available by request