D289-0118 Screening compound: 2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)acetamide

D289-0118 Screening compound: 2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)acetamide
D289-0118 Screening compound: 2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0118
2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)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

D289-0118

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)acetamide

IUPAC name

2-{13-ethyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaen-9-yl}-N-[(pyridin-3-yl)methyl]acetamide

SMILES

CCc(cc1)cc(-c2c3cccc2)c1N(CC(NCc1cnccc1)=O)S3(=O)=O

InChI

InChI=1S/C22H21N3O3S/c1-2-16-9-10-20-19(12-16)18-7-3-4-8-21(18)29(27,28)25(20)15-22(26)24-14-17-6-5-11-23-13-17/h3-13H,2,14-15H2,1H3,(H,24,26)

InChI Key

SBJPZKVYQVHUBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.49

Polar Surface Area

64.751

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D289-0118 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D289-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0118?
Check Price and Availability of D289-0118, 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 D289-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0118
  • 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 D289-0118 available by request