D289-0326 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-cyclooctylacetamide

D289-0326 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-cyclooctylacetamide
D289-0326 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-cyclooctylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0326
2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-cyclooctylacetamide

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

D289-0326

Molecular Formula

C22H25BrN2O3S (C22 H25 BrN2 O3 S)

Compound Name

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

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-cyclooctylacetamide

SMILES

O=C(CN(c(ccc(Br)c1)c1-c1c2cccc1)S2(=O)=O)NC1CCCCCCC1

InChI

InChI=1S/C22H25BrN2O3S/c23-16-12-13-20-19(14-16)18-10-6-7-11-21(18)29(27,28)25(20)15-22(26)24-17-8-4-2-1-3-5-9-17/h6-7,10-14,17H,1-5,8-9,15H2,(H,24,26)

InChI Key

BDRLTYTULLQTKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.410

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.67

Polar Surface Area

55.290

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D289-0326 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D289-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0326?
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What is the minimum amount of D289-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0326
  • 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 D289-0326 available by request