2022-2688 Screening compound: 2-nitro-N-(2-oxothiolan-3-yl)benzene-1-sulfonamide

2022-2688 Screening compound: 2-nitro-N-(2-oxothiolan-3-yl)benzene-1-sulfonamide
2022-2688 Screening compound: 2-nitro-N-(2-oxothiolan-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2022-2688
2-nitro-N-(2-oxothiolan-3-yl)benzene-1-sulfonamide

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

2022-2688

Molecular Formula

C10H10N2O5S2 (C10 H10 N2 O5 S2)

Compound Name

2-nitro-N-(2-oxothiolan-3-yl)benzene-1-sulfonamide

IUPAC name

2-nitro-N-(2-oxothiolan-3-yl)benzene-1-sulfonamide

SMILES

[O-][N+](c(cccc1)c1S(NC(CCS1)C1=O)(=O)=O)=O

InChI

InChI=1S/C10H10N2O5S2/c13-10-7(5-6-18-10)11-19(16,17)9-4-2-1-3-8(9)12(14)15/h1-4,7,11H,5-6H2/t7-/m0/s1

InChI Key

DHWAXEAJBUHEFN-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD01212814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.902

Distribution Coefficient, logD

0.816

Water Solubility, LogSw

-2.36

Polar Surface Area

88.845

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

2022-2688 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2022-2688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2022-2688?
Check Price and Availability of 2022-2688, 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 2022-2688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2022-2688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2022-2688
  • 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 2022-2688 available by request