D289-0422 Screening compound: 6-[2-(4-benzylpiperazino)-2-oxoethyl]-9-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

D289-0422 Screening compound: 6-[2-(4-benzylpiperazino)-2-oxoethyl]-9-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
D289-0422 Screening compound: 6-[2-(4-benzylpiperazino)-2-oxoethyl]-9-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0422
6-[2-(4-benzylpiperazino)-2-oxoethyl]-9-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

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

D289-0422

Molecular Formula

C27H29N3O3S (C27 H29 N3 O3 S)

Compound Name

6-[2-(4-benzylpiperazino)-2-oxoethyl]-9-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

IUPAC name

9-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-13-ethyl-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaene-88-dione

SMILES

CCc(cc1)cc(-c2c3cccc2)c1N(CC(N1CCN(Cc2ccccc2)CC1)=O)S3(=O)=O

InChI

InChI=1S/C27H29N3O3S/c1-2-21-12-13-25-24(18-21)23-10-6-7-11-26(23)34(32,33)30(25)20-27(31)29-16-14-28(15-17-29)19-22-8-4-3-5-9-22/h3-13,18H,2,14-17,19-20H2,1H3

InChI Key

TUSFXAAXJICZRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-3.96

Polar Surface Area

50.695

Acid Dissociation Constant (pKa)

19.94

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

D289-0422 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D289-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0422?
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What is the minimum amount of D289-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0422
  • 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 D289-0422 available by request