4130-1568 Screening compound: N-(2-oxothiolan-3-yl)benzenesulfonamide

4130-1568 Screening compound: N-(2-oxothiolan-3-yl)benzenesulfonamide
4130-1568 Screening compound: N-(2-oxothiolan-3-yl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-1568
N-(2-oxothiolan-3-yl)benzenesulfonamide

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

4130-1568

Molecular Formula

C10H11NO3S2 (C10 H11 NO3 S2)

Compound Name

N-(2-oxothiolan-3-yl)benzenesulfonamide

IUPAC name

N-(2-oxothiolan-3-yl)benzenesulfonamide

SMILES

O=C1SCCC1NS(c1ccccc1)(=O)=O

InChI

InChI=1S/C10H11NO3S2/c12-10-9(6-7-15-10)11-16(13,14)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1

InChI Key

ZQELFYFFCAVVSJ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01212657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.401

Distribution Coefficient, logD

1.315

Water Solubility, LogSw

-2.26

Polar Surface Area

55.764

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-6.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

4130-1568 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4130-1568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-1568?
Check Price and Availability of 4130-1568, 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 4130-1568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-1568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-1568
  • 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 4130-1568 available by request