D289-0327 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(2-morpholinoethyl)acetamide

D289-0327 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(2-morpholinoethyl)acetamide
D289-0327 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(2-morpholinoethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0327
2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(2-morpholinoethyl)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

D289-0327

Molecular Formula

C20H22BrN3O4S (C20 H22 BrN3 O4 S)

Compound Name

2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(2-morpholinoethyl)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-[2-(morpholin-4-yl)ethyl]acetamide

SMILES

O=C(CN(c(ccc(Br)c1)c1-c1c2cccc1)S2(=O)=O)NCCN1CCOCC1

InChI

InChI=1S/C20H22BrN3O4S/c21-15-5-6-18-17(13-15)16-3-1-2-4-19(16)29(26,27)24(18)14-20(25)22-7-8-23-9-11-28-12-10-23/h1-6,13H,7-12,14H2,(H,22,25)

InChI Key

SBLFONKSHHQLJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.110

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-3.19

Polar Surface Area

66.966

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D289-0327 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 D289-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0327?
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What is the minimum amount of D289-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0327
  • 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 D289-0327 available by request