4489-8500 Screening compound: N~1~-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl}-4-methoxybenzamide

4489-8500 Screening compound: N~1~-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl}-4-methoxybenzamide
4489-8500 Screening compound: N~1~-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-8500
N~1~-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl}-4-methoxybenzamide

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

4489-8500

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

N~1~-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl}-4-methoxybenzamide

IUPAC name

N-{2-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethyl}-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NCCNC(c1c2cccc1)=NS2(=O)=O)=O

InChI

InChI=1S/C17H17N3O4S/c1-24-13-8-6-12(7-9-13)17(21)19-11-10-18-16-14-4-2-3-5-15(14)25(22,23)20-16/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)

InChI Key

FFPVHMGTYGEQAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01579563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.855

Distribution Coefficient, logD

0.855

Water Solubility, LogSw

-2.29

Polar Surface Area

84.078

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4489-8500 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4489-8500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-8500?
Check Price and Availability of 4489-8500, 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 4489-8500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-8500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-8500
  • 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 4489-8500 available by request