D289-0072 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~,N~1~-dimethylacetamide

D289-0072 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~,N~1~-dimethylacetamide
D289-0072 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~,N~1~-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0072
2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~,N~1~-dimethylacetamide

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

D289-0072

Molecular Formula

C16H15BrN2O3S (C16 H15 BrN2 O3 S)

Compound Name

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

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}-NN-dimethylacetamide

SMILES

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

InChI

InChI=1S/C16H15BrN2O3S/c1-18(2)16(20)10-19-14-8-7-11(17)9-13(14)12-5-3-4-6-15(12)23(19,21)22/h3-9H,10H2,1-2H3

InChI Key

AMYCIWWNVXTSHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.28

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

2.416

Distribution Coefficient, logD

2.416

Water Solubility, LogSw

-3.08

Polar Surface Area

46.507

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D289-0072 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D289-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0072?
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What is the minimum amount of D289-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0072
  • 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 D289-0072 available by request