D092-0100 Screening compound: 2-(4-fluorophenyl)-2-{(2-morpholinoethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}-N~1~-(tetrahydro-2-furanylmethyl)acetamide

D092-0100 Screening compound: 2-(4-fluorophenyl)-2-{(2-morpholinoethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}-N~1~-(tetrahydro-2-furanylmethyl)acetamide
D092-0100 Screening compound: 2-(4-fluorophenyl)-2-{(2-morpholinoethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}-N~1~-(tetrahydro-2-furanylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D092-0100
2-(4-fluorophenyl)-2-{(2-morpholinoethyl)[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}-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

D092-0100

Molecular Formula

C28H33FN4O7S (C28 H33 FN4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)N(CCN1CCOCC1)C(C(NCC1OCCC1)=O)c(cc1)ccc1F

InChI

InChI=1S/C28H33FN4O7S/c29-21-9-7-20(8-10-21)26(27(35)30-18-22-4-3-15-40-22)32(12-11-31-13-16-39-17-14-31)25(34)19-33-28(36)23-5-1-2-6-24(23)41(33,37)38/h1-2,5-10,22,26H,3-4,11-19H2,(H,30,35)

InChI Key

HARWKQGCUKWHSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.388

Distribution Coefficient, logD

0.384

Water Solubility, LogSw

-2.37

Polar Surface Area

104.789

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.40

D092-0100 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D092-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D092-0100?
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What is the minimum amount of D092-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D092-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D092-0100
  • 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 D092-0100 available by request