5167-1697 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl isonicotinate

5167-1697 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl isonicotinate
5167-1697 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl isonicotinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5167-1697
2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl isonicotinate

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

5167-1697

Molecular Formula

C17H17N3O5S (C17 H17 N3 O5 S)

Compound Name

2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl isonicotinate

IUPAC name

2-{2-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethoxy}ethyl pyridine-4-carboxylate

SMILES

O=C(c1ccncc1)OCCOCCNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C17H17N3O5S/c21-17(13-5-7-18-8-6-13)25-12-11-24-10-9-19-16-14-3-1-2-4-15(14)26(22,23)20-16/h1-8H,9-12H2,(H,19,20)

InChI Key

BTZSASONLOUMTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.845

Distribution Coefficient, logD

0.844

Water Solubility, LogSw

-1.95

Polar Surface Area

90.756

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5167-1697 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5167-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5167-1697?
Check Price and Availability of 5167-1697, 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 5167-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5167-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5167-1697
  • 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 5167-1697 available by request