D257-0792 Screening compound: N~1~-[4-(1-pyrrolidinyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D257-0792 Screening compound: N~1~-[4-(1-pyrrolidinyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D257-0792 Screening compound: N~1~-[4-(1-pyrrolidinyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D257-0792
N~1~-[4-(1-pyrrolidinyl)phenyl]-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

D257-0792

Molecular Formula

C19H19N3O4S (C19 H19 N3 O4 S)

Compound Name

N~1~-[4-(1-pyrrolidinyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-[4-(pyrrolidin-1-yl)phenyl]-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cc1)ccc1N1CCCC1

InChI

InChI=1S/C19H19N3O4S/c23-18(20-14-7-9-15(10-8-14)21-11-3-4-12-21)13-22-19(24)16-5-1-2-6-17(16)27(22,25)26/h1-2,5-10H,3-4,11-13H2,(H,20,23)

InChI Key

FQDMZCVHKRHLBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07792611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.242

Distribution Coefficient, logD

2.242

Water Solubility, LogSw

-3.09

Polar Surface Area

72.152

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D257-0792 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D257-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0792?
Check Price and Availability of D257-0792, 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 D257-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0792
  • 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 D257-0792 available by request