D289-0450 Screening compound: 6-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}-9-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

D289-0450 Screening compound: 6-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}-9-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
D289-0450 Screening compound: 6-{2-[4-(2,3-dimethylphenyl)piperazino]-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 D289-0450
6-{2-[4-(2,3-dimethylphenyl)piperazino]-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

D289-0450

Molecular Formula

C28H31N3O3S (C28 H31 N3 O3 S)

Compound Name

6-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}-9-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

IUPAC name

9-{2-[4-(23-dimethylphenyl)piperazin-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(N(CC1)CCN1c1c(C)c(C)ccc1)=O)S3(=O)=O

InChI

InChI=1S/C28H31N3O3S/c1-4-22-12-13-26-24(18-22)23-9-5-6-11-27(23)35(33,34)31(26)19-28(32)30-16-14-29(15-17-30)25-10-7-8-20(2)21(25)3/h5-13,18H,4,14-17,19H2,1-3H3

InChI Key

YZJROPDVTMNJFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.399

Distribution Coefficient, logD

5.399

Water Solubility, LogSw

-5.43

Polar Surface Area

50.114

Acid Dissociation Constant (pKa)

19.94

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

D289-0450 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D289-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0450?
Check Price and Availability of D289-0450, 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 D289-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0450
  • 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 D289-0450 available by request