2253-1042 Screening compound: 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzenesulfonate

2253-1042 Screening compound: 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzenesulfonate
2253-1042 Screening compound: 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2253-1042
3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzenesulfonate

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

2253-1042

Molecular Formula

C20H19NO5S (C20 H19 NO5 S)

Compound Name

3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzenesulfonate

IUPAC name

3-(13-dioxo-octahydro-1H-isoindol-2-yl)phenyl benzenesulfonate

SMILES

O=C(C(CCCC1)C1C1=O)N1c1cccc(OS(c2ccccc2)(=O)=O)c1

InChI

InChI=1S/C20H19NO5S/c22-19-17-11-4-5-12-18(17)20(23)21(19)14-7-6-8-15(13-14)26-27(24,25)16-9-2-1-3-10-16/h1-3,6-10,13,17-18H,4-5,11-12H2

InChI Key

IMVNHOYBGDSRFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.40

Polar Surface Area

64.833

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

2253-1042 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 2253-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2253-1042?
Check Price and Availability of 2253-1042, 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 2253-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2253-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2253-1042
  • 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 2253-1042 available by request