1595-0014 Screening compound: 1-{[2-(ethanesulfonyl)ethoxy]sulfonyl}-4-methylbenzene

1595-0014 Screening compound: 1-{[2-(ethanesulfonyl)ethoxy]sulfonyl}-4-methylbenzene
1595-0014 Screening compound: 1-{[2-(ethanesulfonyl)ethoxy]sulfonyl}-4-methylbenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 1595-0014
1-{[2-(ethanesulfonyl)ethoxy]sulfonyl}-4-methylbenzene

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

1595-0014

Molecular Formula

C11H16O5S2 (C11 H16 O5 S2)

Compound Name

1-{[2-(ethanesulfonyl)ethoxy]sulfonyl}-4-methylbenzene

IUPAC name

1-{[2-(ethanesulfonyl)ethoxy]sulfonyl}-4-methylbenzene

SMILES

CCS(CCOS(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C11H16O5S2/c1-3-17(12,13)9-8-16-18(14,15)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3

InChI Key

SVABMXMGYFNVKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00447091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.842

Distribution Coefficient, logD

0.842

Water Solubility, LogSw

-1.94

Polar Surface Area

65.817

Acid Dissociation Constant (pKa)

20.51

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

1595-0014 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 1595-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1595-0014?
Check Price and Availability of 1595-0014, 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 1595-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1595-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1595-0014
  • 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 1595-0014 available by request