7426-0533 Screening compound: 3-[(4-methylphenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one

7426-0533 Screening compound: 3-[(4-methylphenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one
7426-0533 Screening compound: 3-[(4-methylphenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7426-0533
3-[(4-methylphenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one

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

7426-0533

Molecular Formula

C14H11NO4S (C14 H11 NO4 S)

Compound Name

3-[(4-methylphenyl)sulfonyl]-1,3-benzoxazol-2(3H)-one

IUPAC name

3-(4-methylbenzenesulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

Cc(cc1)ccc1S(N(c(cccc1)c1O1)C1=O)(=O)=O

InChI

InChI=1S/C14H11NO4S/c1-10-6-8-11(9-7-10)20(17,18)15-12-4-2-3-5-13(12)19-14(15)16/h2-9H,1H3

InChI Key

GFWJFUAUJKMTEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00426748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.59

Polar Surface Area

52.268

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-14.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

7426-0533 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with 7426-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7426-0533?
Check Price and Availability of 7426-0533, 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 7426-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7426-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7426-0533
  • 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 7426-0533 available by request