D289-0307 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

D289-0307 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide
D289-0307 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0307
2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]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

D289-0307

Molecular Formula

C21H17BrN2O3S2 (C21 H17 BrN2 O3 S2)

Compound Name

2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{13-bromo-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaen-9-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CSc1cccc(NC(CN(c(ccc(Br)c2)c2-c2c3cccc2)S3(=O)=O)=O)c1

InChI

InChI=1S/C21H17BrN2O3S2/c1-28-16-6-4-5-15(12-16)23-21(25)13-24-19-10-9-14(22)11-18(19)17-7-2-3-8-20(17)29(24,26)27/h2-12H,13H2,1H3,(H,23,25)

InChI Key

HOUKCDLYEBVTSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.080

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-4.84

Polar Surface Area

53.911

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D289-0307 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 D289-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0307?
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What is the minimum amount of D289-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0307
  • 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 D289-0307 available by request