0538-0102 Screening compound: 4-methylphenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

0538-0102 Screening compound: 4-methylphenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate
0538-0102 Screening compound: 4-methylphenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0538-0102
4-methylphenyl 2,4,6-tris(propan-2-yl)benzene-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

0538-0102

Molecular Formula

C22H30O3S (C22 H30 O3 S)

Compound Name

4-methylphenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

IUPAC name

4-methylphenyl 246-tris(propan-2-yl)benzene-1-sulfonate

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(Oc1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H30O3S/c1-14(2)18-12-20(15(3)4)22(21(13-18)16(5)6)26(23,24)25-19-10-8-17(7)9-11-19/h8-16H,1-7H3

InChI Key

GIMHEBGUPVOLGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00092122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.646

Distribution Coefficient, logD

6.646

Water Solubility, LogSw

-5.81

Polar Surface Area

36.000

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

0538-0102 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 0538-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0538-0102?
Check Price and Availability of 0538-0102, 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 0538-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0538-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0538-0102
  • 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 0538-0102 available by request