1165-0442 Screening compound: 2,4,6-trimethylphenyl 2-phenylethane-1-sulfonate

1165-0442 Screening compound: 2,4,6-trimethylphenyl 2-phenylethane-1-sulfonate
1165-0442 Screening compound: 2,4,6-trimethylphenyl 2-phenylethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1165-0442
2,4,6-trimethylphenyl 2-phenylethane-1-sulfonate

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

1165-0442

Molecular Formula

C17H20O3S (C17 H20 O3 S)

Compound Name

2,4,6-trimethylphenyl 2-phenylethane-1-sulfonate

IUPAC name

246-trimethylphenyl 2-phenylethane-1-sulfonate

SMILES

Cc(cc1C)cc(C)c1OS(CCc1ccccc1)(=O)=O

InChI

InChI=1S/C17H20O3S/c1-13-11-14(2)17(15(3)12-13)20-21(18,19)10-9-16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3

InChI Key

HDMVMHGVZBIDHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00988352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-4.45

Polar Surface Area

35.249

Acid Dissociation Constant (pKa)

20.76

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

1165-0442 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1165-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1165-0442?
Check Price and Availability of 1165-0442, 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 1165-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1165-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1165-0442
  • 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 1165-0442 available by request