0538-0101 Screening compound: phenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

0538-0101 Screening compound: phenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate
0538-0101 Screening compound: phenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0538-0101
phenyl 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

0538-0101

Molecular Formula

C21H28O3S (C21 H28 O3 S)

Compound Name

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

IUPAC name

phenyl 246-tris(propan-2-yl)benzene-1-sulfonate

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(Oc1ccccc1)(=O)=O

InChI

InChI=1S/C21H28O3S/c1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)25(22,23)24-18-10-8-7-9-11-18/h7-16H,1-6H3

InChI Key

FZSMEEMXNODQED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00604121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.52

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

6.194

Distribution Coefficient, logD

6.194

Water Solubility, LogSw

-5.70

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

42.90

0538-0101 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0538-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0538-0101?
Check Price and Availability of 0538-0101, 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 0538-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0538-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0538-0101
  • 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 0538-0101 available by request