8003-7494 Screening compound: 2-(benzylsulfonyl)-N~1~-phenethylacetamide

8003-7494 Screening compound: 2-(benzylsulfonyl)-N~1~-phenethylacetamide
8003-7494 Screening compound: 2-(benzylsulfonyl)-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7494
2-(benzylsulfonyl)-N~1~-phenethylacetamide

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

8003-7494

Molecular Formula

C17H19NO3S (C17 H19 NO3 S)

Compound Name

2-(benzylsulfonyl)-N~1~-phenethylacetamide

IUPAC name

N-(2-phenylethyl)-2-phenylmethanesulfonylacetamide

SMILES

O=C(CS(Cc1ccccc1)(=O)=O)NCCc1ccccc1

InChI

InChI=1S/C17H19NO3S/c19-17(18-12-11-15-7-3-1-4-8-15)14-22(20,21)13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)

InChI Key

BDBADEBHFYDCHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00715429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.361

Distribution Coefficient, logD

1.361

Water Solubility, LogSw

-1.98

Polar Surface Area

52.580

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8003-7494 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8003-7494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7494?
Check Price and Availability of 8003-7494, 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 8003-7494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7494
  • 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 8003-7494 available by request