4463-1394 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

4463-1394 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate
4463-1394 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4463-1394
2-(4-bromophenyl)-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

4463-1394

Molecular Formula

C16H14BrNO5S (C16 H14 BrNO5 S)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

SMILES

O=C(COC(CNS(c1ccccc1)(=O)=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C16H14BrNO5S/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

JGQXRPFWIPSSKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00761594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.26

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

2.847

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.47

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

4463-1394 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4463-1394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4463-1394?
Check Price and Availability of 4463-1394, 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 4463-1394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4463-1394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4463-1394
  • 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 4463-1394 available by request