D092-0106 Screening compound: 2-{(2-furylmethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}-2-(4-pyridyl)-N~1~-(tetrahydro-2-furanylmethyl)acetamide

D092-0106 Screening compound: 2-{(2-furylmethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}-2-(4-pyridyl)-N~1~-(tetrahydro-2-furanylmethyl)acetamide
D092-0106 Screening compound: 2-{(2-furylmethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}-2-(4-pyridyl)-N~1~-(tetrahydro-2-furanylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0106
2-{(2-furylmethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}-2-(4-pyridyl)-N~1~-(tetrahydro-2-furanylmethyl)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

D092-0106

Molecular Formula

C26H26N4O7S (C26 H26 N4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)N(Cc1ccco1)C(C(NCC1OCCC1)=O)c1ccncc1

InChI

InChI=1S/C26H26N4O7S/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

XUJFTQAJJLWWLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03114696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.522

Distribution Coefficient, logD

0.510

Water Solubility, LogSw

-2.07

Polar Surface Area

110.096

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

D092-0106 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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 D092-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0106?
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What is the minimum amount of D092-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0106
  • 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 D092-0106 available by request