0538-0126 Screening compound: phenyl phenylmethanesulfonate

0538-0126 Screening compound: phenyl phenylmethanesulfonate
0538-0126 Screening compound: phenyl phenylmethanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0538-0126
phenyl phenylmethanesulfonate

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

0538-0126

Molecular Formula

C13H12O3S (C13 H12 O3 S)

Compound Name

phenyl phenylmethanesulfonate

IUPAC name

phenyl phenylmethanesulfonate

SMILES

O=S(Cc1ccccc1)(Oc1ccccc1)=O

InChI

InChI=1S/C13H12O3S/c14-17(15,11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H,11H2

InChI Key

DTVYDCGCCHOJMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01231342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-2.77

Polar Surface Area

35.076

Acid Dissociation Constant (pKa)

20.10

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0538-0126 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0538-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0538-0126?
Check Price and Availability of 0538-0126, 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 0538-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0538-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0538-0126
  • 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 0538-0126 available by request