D289-0165 Screening compound: N~1~-benzyl-2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-methylacetamide

D289-0165 Screening compound: N~1~-benzyl-2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-methylacetamide
D289-0165 Screening compound: N~1~-benzyl-2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0165
N~1~-benzyl-2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-methylacetamide

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

D289-0165

Molecular Formula

C22H19BrN2O3S (C22 H19 BrN2 O3 S)

Compound Name

N~1~-benzyl-2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-methylacetamide

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(CN(c(ccc(Br)c1)c1-c1c2cccc1)S2(=O)=O)=O

InChI

InChI=1S/C22H19BrN2O3S/c1-24(14-16-7-3-2-4-8-16)22(26)15-25-20-12-11-17(23)13-19(20)18-9-5-6-10-21(18)29(25,27)28/h2-13H,14-15H2,1H3

InChI Key

UKKPPWHPLFOMFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.560

Distribution Coefficient, logD

4.560

Water Solubility, LogSw

-4.47

Polar Surface Area

46.657

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D289-0165 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)

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 D289-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0165?
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What is the minimum amount of D289-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0165
  • 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 D289-0165 available by request