6554-3949 Screening compound: 2-(4-fluorophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

6554-3949 Screening compound: 2-(4-fluorophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate
6554-3949 Screening compound: 2-(4-fluorophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6554-3949
2-(4-fluorophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

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

6554-3949

Molecular Formula

C16H14FNO5S (C16 H14 FNO5 S)

Compound Name

2-(4-fluorophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

IUPAC name

2-(4-fluorophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

SMILES

O=C(COC(CNS(c1ccccc1)(=O)=O)=O)c(cc1)ccc1F

InChI

InChI=1S/C16H14FNO5S/c17-13-8-6-12(7-9-13)15(19)11-23-16(20)10-18-24(21,22)14-4-2-1-3-5-14/h1-9,18H,10-11H2

InChI Key

MNQZRCHXQUWHNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03838292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.042

Distribution Coefficient, logD

2.041

Water Solubility, LogSw

-2.72

Polar Surface Area

75.778

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6554-3949 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6554-3949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6554-3949?
Check Price and Availability of 6554-3949, 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 6554-3949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6554-3949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6554-3949
  • 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 6554-3949 available by request