5251-2426 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl nicotinate

5251-2426 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl nicotinate
5251-2426 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl nicotinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5251-2426
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl nicotinate

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

5251-2426

Molecular Formula

C15H13N3O4S (C15 H13 N3 O4 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl nicotinate

IUPAC name

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

SMILES

O=C(c1cnccc1)OCCNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C15H13N3O4S/c19-15(11-4-3-7-16-10-11)22-9-8-17-14-12-5-1-2-6-13(12)23(20,21)18-14/h1-7,10H,8-9H2,(H,17,18)

InChI Key

KLPWQSDNGJYNTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03714781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

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

1.148

Distribution Coefficient, logD

1.148

Water Solubility, LogSw

-1.87

Polar Surface Area

82.574

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

5251-2426 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5251-2426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5251-2426?
Check Price and Availability of 5251-2426, 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 5251-2426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5251-2426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5251-2426
  • 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 5251-2426 available by request