4489-8400 Screening compound: 2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl benzoate

4489-8400 Screening compound: 2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl benzoate
4489-8400 Screening compound: 2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-8400
2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl benzoate

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

4489-8400

Molecular Formula

C22H17ClN2O4S (C22 H17 ClN2 O4 S)

Compound Name

2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl benzoate

IUPAC name

2-[(2-chlorophenyl)(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethyl benzoate

SMILES

O=C(c1ccccc1)OCCN(C(c1c2cccc1)=NS2(=O)=O)c(cccc1)c1Cl

InChI

InChI=1S/C22H17ClN2O4S/c23-18-11-5-6-12-19(18)25(14-15-29-22(26)16-8-2-1-3-9-16)21-17-10-4-7-13-20(17)30(27,28)24-21/h1-13H,14-15H2

InChI Key

OUKPYZZDQYKTEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-4.90

Polar Surface Area

62.558

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4489-8400 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4489-8400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-8400?
Check Price and Availability of 4489-8400, 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 4489-8400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-8400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-8400
  • 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 4489-8400 available by request