4068-0079 Screening compound: 4-(acetyloxy)-3-(3,4-dichlorobenzenesulfonyl)phenyl acetate

4068-0079 Screening compound: 4-(acetyloxy)-3-(3,4-dichlorobenzenesulfonyl)phenyl acetate
4068-0079 Screening compound: 4-(acetyloxy)-3-(3,4-dichlorobenzenesulfonyl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4068-0079
4-(acetyloxy)-3-(3,4-dichlorobenzenesulfonyl)phenyl acetate

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

4068-0079

Molecular Formula

C16H12Cl2O6S (C16 H12 Cl2 O6 S)

Compound Name

4-(acetyloxy)-3-(3,4-dichlorobenzenesulfonyl)phenyl acetate

IUPAC name

4-(acetyloxy)-3-(34-dichlorobenzenesulfonyl)phenyl acetate

SMILES

CC(Oc(cc1)cc(S(c(cc2)cc(Cl)c2Cl)(=O)=O)c1OC(C)=O)=O

InChI

InChI=1S/C16H12Cl2O6S/c1-9(19)23-11-3-6-15(24-10(2)20)16(7-11)25(21,22)12-4-5-13(17)14(18)8-12/h3-8H,1-2H3

InChI Key

JMKFBVOBYCYYBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00623436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.24

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.138

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.37

Polar Surface Area

71.328

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4068-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4068-0079?
Check Price and Availability of 4068-0079, 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 4068-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4068-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4068-0079
  • 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 4068-0079 available by request