D092-0097 Screening compound: 2-(4-pyridyl)-N~1~-(tetrahydro-2-furanylmethyl)-2-{(2-thienylmethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}acetamide

D092-0097 Screening compound: 2-(4-pyridyl)-N~1~-(tetrahydro-2-furanylmethyl)-2-{(2-thienylmethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}acetamide
D092-0097 Screening compound: 2-(4-pyridyl)-N~1~-(tetrahydro-2-furanylmethyl)-2-{(2-thienylmethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0097
2-(4-pyridyl)-N~1~-(tetrahydro-2-furanylmethyl)-2-{(2-thienylmethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}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

D092-0097

Molecular Formula

C26H26N4O6S2 (C26 H26 N4 O6 S2)

Compound Name

2-(4-pyridyl)-N~1~-(tetrahydro-2-furanylmethyl)-2-{(2-thienylmethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}acetamide

IUPAC name

N-[(oxolan-2-yl)methyl]-2-(pyridin-4-yl)-2-{N-[(thiophen-2-yl)methyl]-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamido}acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)N(Cc1cccs1)C(C(NCC1OCCC1)=O)c1ccncc1

InChI

InChI=1S/C26H26N4O6S2/c31-23(17-30-26(33)21-7-1-2-8-22(21)38(30,34)35)29(16-20-6-4-14-37-20)24(18-9-11-27-12-10-18)25(32)28-15-19-5-3-13-36-19/h1-2,4,6-12,14,19,24H,3,5,13,15-17H2,(H,28,32)

InChI Key

WOWILPFOCUFWOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03114699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.923

Distribution Coefficient, logD

0.911

Water Solubility, LogSw

-2.12

Polar Surface Area

103.366

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

D092-0097 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D092-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0097?
Check Price and Availability of D092-0097, 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 D092-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0097
  • 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 D092-0097 available by request