0538-0119 Screening compound: 2,3,4,5,6-pentachlorophenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

0538-0119 Screening compound: 2,3,4,5,6-pentachlorophenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate
0538-0119 Screening compound: 2,3,4,5,6-pentachlorophenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0538-0119
2,3,4,5,6-pentachlorophenyl 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

0538-0119

Molecular Formula

C21H23Cl5O3S (C21 H23 Cl5 O3 S)

Compound Name

2,3,4,5,6-pentachlorophenyl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

IUPAC name

23456-pentachlorophenyl 246-tris(propan-2-yl)benzene-1-sulfonate

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(Oc(c(Cl)c(c(Cl)c1Cl)Cl)c1Cl)(=O)=O

InChI

InChI=1S/C21H23Cl5O3S/c1-9(2)12-7-13(10(3)4)21(14(8-12)11(5)6)30(27,28)29-20-18(25)16(23)15(22)17(24)19(20)26/h7-11H,1-6H3

InChI Key

QZIZKGMBVWQWFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00604123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.74

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

8.854

Distribution Coefficient, logD

8.854

Water Solubility, LogSw

-7.28

Polar Surface Area

36.173

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 0538-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0538-0119?
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What is the minimum amount of 0538-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0538-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0538-0119
  • 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 0538-0119 available by request