0242-0566 Screening compound: 3-[(4-methylbenzenesulfonyl)oxy]propyl 4-methylbenzene-1-sulfonate

0242-0566 Screening compound: 3-[(4-methylbenzenesulfonyl)oxy]propyl 4-methylbenzene-1-sulfonate
0242-0566 Screening compound: 3-[(4-methylbenzenesulfonyl)oxy]propyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0566
3-[(4-methylbenzenesulfonyl)oxy]propyl 4-methylbenzene-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

0242-0566

Molecular Formula

C17H20O6S2 (C17 H20 O6 S2)

Compound Name

3-[(4-methylbenzenesulfonyl)oxy]propyl 4-methylbenzene-1-sulfonate

IUPAC name

3-[(4-methylbenzenesulfonyl)oxy]propyl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(OCCCOS(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C17H20O6S2/c1-14-4-8-16(9-5-14)24(18,19)22-12-3-13-23-25(20,21)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3

InChI Key

ODVREDGIWSDQFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00013392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.20

Polar Surface Area

74.524

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

0242-0566 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 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 0242-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0566?
Check Price and Availability of 0242-0566, 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 0242-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0566
  • 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 0242-0566 available by request