5586-0544 Screening compound: 2-(3,4-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

5586-0544 Screening compound: 2-(3,4-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate
5586-0544 Screening compound: 2-(3,4-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-0544
2-(3,4-dimethylphenyl)-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

5586-0544

Molecular Formula

C18H19NO5S (C18 H19 NO5 S)

Compound Name

2-(3,4-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

IUPAC name

2-(34-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

SMILES

Cc(cc1)c(C)cc1C(COC(CNS(c1ccccc1)(=O)=O)=O)=O

InChI

InChI=1S/C18H19NO5S/c1-13-8-9-15(10-14(13)2)17(20)12-24-18(21)11-19-25(22,23)16-6-4-3-5-7-16/h3-10,19H,11-12H2,1-2H3

InChI Key

BYONVGPJLUVSJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01576552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

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

3.234

Distribution Coefficient, logD

3.233

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

22.20

References: we are preparing a list of scientific research reports with 5586-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-0544?
Check Price and Availability of 5586-0544, 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 5586-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-0544
  • 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 5586-0544 available by request