0711-0281 Screening compound: 4-methyl-4-{4-[4-(2-methyl-4-oxopentane-2-sulfonyl)phenoxy]benzenesulfonyl}pentan-2-one

0711-0281 Screening compound: 4-methyl-4-{4-[4-(2-methyl-4-oxopentane-2-sulfonyl)phenoxy]benzenesulfonyl}pentan-2-one
0711-0281 Screening compound: 4-methyl-4-{4-[4-(2-methyl-4-oxopentane-2-sulfonyl)phenoxy]benzenesulfonyl}pentan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0711-0281
4-methyl-4-{4-[4-(2-methyl-4-oxopentane-2-sulfonyl)phenoxy]benzenesulfonyl}pentan-2-one

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

0711-0281

Molecular Formula

C24H30O7S2 (C24 H30 O7 S2)

Compound Name

4-methyl-4-{4-[4-(2-methyl-4-oxopentane-2-sulfonyl)phenoxy]benzenesulfonyl}pentan-2-one

IUPAC name

4-methyl-4-{4-[4-(2-methyl-4-oxopentane-2-sulfonyl)phenoxy]benzenesulfonyl}pentan-2-one

SMILES

CC(C)(CC(C)=O)S(c(cc1)ccc1Oc(cc1)ccc1S(C(C)(C)CC(C)=O)(=O)=O)(=O)=O

InChI

InChI=1S/C24H30O7S2/c1-17(25)15-23(3,4)32(27,28)21-11-7-19(8-12-21)31-20-9-13-22(14-10-20)33(29,30)24(5,6)16-18(2)26/h7-14H,15-16H2,1-6H3

InChI Key

AFEIJJFDRLYIAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00316937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.63

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-4.05

Polar Surface Area

93.201

Acid Dissociation Constant (pKa)

20.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0711-0281 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0711-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0711-0281?
Check Price and Availability of 0711-0281, 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 0711-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0711-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0711-0281
  • 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 0711-0281 available by request