D289-0042 Screening compound: 2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~,N~1~-dimethylacetamide

D289-0042 Screening compound: 2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~,N~1~-dimethylacetamide
D289-0042 Screening compound: 2-[9-isopropyl-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 D289-0042
2-[9-isopropyl-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

D289-0042

Molecular Formula

C19H22N2O3S (C19 H22 N2 O3 S)

Compound Name

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

IUPAC name

2-[88-dioxo-13-(propan-2-yl)-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaen-9-yl]-NN-dimethylacetamide

SMILES

CC(C)c(cc1)cc(-c2c3cccc2)c1N(CC(N(C)C)=O)S3(=O)=O

InChI

InChI=1S/C19H22N2O3S/c1-13(2)14-9-10-17-16(11-14)15-7-5-6-8-18(15)25(23,24)21(17)12-19(22)20(3)4/h5-11,13H,12H2,1-4H3

InChI Key

NCMVMOQUGHFAHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.64

Polar Surface Area

46.507

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D289-0042 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D289-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0042?
Check Price and Availability of D289-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D289-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0042
  • 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 D289-0042 available by request