D289-0073 Screening compound: 9-bromo-6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

D289-0073 Screening compound: 9-bromo-6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
D289-0073 Screening compound: 9-bromo-6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0073
9-bromo-6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

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

D289-0073

Molecular Formula

C18H17BrN2O3S (C18 H17 BrN2 O3 S)

Compound Name

9-bromo-6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

IUPAC name

13-bromo-9-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaene-88-dione

SMILES

O=C(CN(c(ccc(Br)c1)c1-c1c2cccc1)S2(=O)=O)N1CCCC1

InChI

InChI=1S/C18H17BrN2O3S/c19-13-7-8-16-15(11-13)14-5-1-2-6-17(14)25(23,24)21(16)12-18(22)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2

InChI Key

HDMKQWSGZFRMGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.90

Polar Surface Area

47.520

Acid Dissociation Constant (pKa)

19.55

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D289-0073 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 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
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D289-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0073?
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What is the minimum amount of D289-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0073
  • 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 D289-0073 available by request