0538-0009 Screening compound: 4-acetylphenyl benzenesulfonate

0538-0009 Screening compound: 4-acetylphenyl benzenesulfonate
0538-0009 Screening compound: 4-acetylphenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0538-0009
4-acetylphenyl benzenesulfonate

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

0538-0009

Molecular Formula

C14H12O4S (C14 H12 O4 S)

Compound Name

4-acetylphenyl benzenesulfonate

IUPAC name

4-acetylphenyl benzenesulfonate

SMILES

CC(c(cc1)ccc1OS(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C14H12O4S/c1-11(15)12-7-9-13(10-8-12)18-19(16,17)14-5-3-2-4-6-14/h2-10H,1H3

InChI Key

MEOYXYXANNAOTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00840434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.470

Distribution Coefficient, logD

2.470

Water Solubility, LogSw

-2.46

Polar Surface Area

49.827

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 0538-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0538-0009?
Check Price and Availability of 0538-0009, 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 0538-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0538-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0538-0009
  • 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 0538-0009 available by request