D289-0025 Screening compound: N~1~-butyl-2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

D289-0025 Screening compound: N~1~-butyl-2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
D289-0025 Screening compound: N~1~-butyl-2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0025
N~1~-butyl-2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

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

D289-0025

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(CN(c(ccc(CC)c1)c1-c1c2cccc1)S2(=O)=O)=O

InChI

InChI=1S/C20H24N2O3S/c1-3-5-12-21-20(23)14-22-18-11-10-15(4-2)13-17(18)16-8-6-7-9-19(16)26(22,24)25/h6-11,13H,3-5,12,14H2,1-2H3,(H,21,23)

InChI Key

QFJMGGNNDRCQPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-3.90

Polar Surface Area

55.347

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D289-0025 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 D289-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0025?
Check Price and Availability of D289-0025, 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 D289-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0025
  • 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 D289-0025 available by request