6028-2489 Screening compound: N~1~-(4-phenoxyphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

6028-2489 Screening compound: N~1~-(4-phenoxyphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
6028-2489 Screening compound: N~1~-(4-phenoxyphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6028-2489
N~1~-(4-phenoxyphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

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

6028-2489

Molecular Formula

C21H16N2O5S (C21 H16 N2 O5 S)

Compound Name

N~1~-(4-phenoxyphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-(4-phenoxyphenyl)-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C21H16N2O5S/c24-20(14-23-21(25)18-8-4-5-9-19(18)29(23,26)27)22-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,24)

InChI Key

GVHXUOVFVSSKOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03484495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-3.77

Polar Surface Area

75.081

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

6028-2489 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6028-2489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6028-2489?
Check Price and Availability of 6028-2489, 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 6028-2489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6028-2489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6028-2489
  • 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 6028-2489 available by request