3461-2942 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)benzamide

3461-2942 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)benzamide
3461-2942 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2942
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)benzamide

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

3461-2942

Molecular Formula

C28H27NO5S (C28 H27 NO5 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)benzamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-tert-butylbenzenesulfonyl)benzamide

SMILES

CC(C)(C)c(cc1)ccc1S(N(C(c1ccccc1)=O)c(cc1)cc2c1oc(C)c2C(C)=O)(=O)=O

InChI

InChI=1S/C28H27NO5S/c1-18(30)26-19(2)34-25-16-13-22(17-24(25)26)29(27(31)20-9-7-6-8-10-20)35(32,33)23-14-11-21(12-15-23)28(3,4)5/h6-17H,1-5H3

InChI Key

YJVSIFGNYUWNHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.067

Distribution Coefficient, logD

6.067

Water Solubility, LogSw

-5.65

Polar Surface Area

67.320

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-16.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 3461-2942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2942?
Check Price and Availability of 3461-2942, 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 3461-2942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2942
  • 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 3461-2942 available by request