0091-0085 Screening compound: 1,2,4,5-tetramethyl-3-(4-methylbenzenesulfonyl)benzene

0091-0085 Screening compound: 1,2,4,5-tetramethyl-3-(4-methylbenzenesulfonyl)benzene
0091-0085 Screening compound: 1,2,4,5-tetramethyl-3-(4-methylbenzenesulfonyl)benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0091-0085
1,2,4,5-tetramethyl-3-(4-methylbenzenesulfonyl)benzene

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

0091-0085

Molecular Formula

C17H20O2S (C17 H20 O2 S)

Compound Name

1,2,4,5-tetramethyl-3-(4-methylbenzenesulfonyl)benzene

IUPAC name

1245-tetramethyl-3-(4-methylbenzenesulfonyl)benzene

SMILES

Cc(cc1)ccc1S(c1c(C)c(C)cc(C)c1C)(=O)=O

InChI

InChI=1S/C17H20O2S/c1-11-6-8-16(9-7-11)20(18,19)17-14(4)12(2)10-13(3)15(17)5/h6-10H,1-5H3

InChI Key

AXAWVMICXHIHFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00623202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-5.13

Polar Surface Area

29.739

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

0091-0085 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0091-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0091-0085?
Check Price and Availability of 0091-0085, 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 0091-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0091-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0091-0085
  • 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 0091-0085 available by request