D289-0353 Screening compound: 2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-{2-[(2-furylmethyl)sulfanyl]ethyl}acetamide

D289-0353 Screening compound: 2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-{2-[(2-furylmethyl)sulfanyl]ethyl}acetamide
D289-0353 Screening compound: 2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-{2-[(2-furylmethyl)sulfanyl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0353
2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-{2-[(2-furylmethyl)sulfanyl]ethyl}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

D289-0353

Molecular Formula

C23H24N2O4S2 (C23 H24 N2 O4 S2)

Compound Name

2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-{2-[(2-furylmethyl)sulfanyl]ethyl}acetamide

IUPAC name

2-{13-ethyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaen-9-yl}-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)acetamide

SMILES

CCc(cc1)cc(-c2c3cccc2)c1N(CC(NCCSCc1ccco1)=O)S3(=O)=O

InChI

InChI=1S/C23H24N2O4S2/c1-2-17-9-10-21-20(14-17)19-7-3-4-8-22(19)31(27,28)25(21)15-23(26)24-11-13-30-16-18-6-5-12-29-18/h3-10,12,14H,2,11,13,15-16H2,1H3,(H,24,26)

InChI Key

OHSXSACTLOADCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-4.15

Polar Surface Area

62.824

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D289-0353 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D289-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0353?
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What is the minimum amount of D289-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0353
  • 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 D289-0353 available by request