D289-0168 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-methylphenyl)acetamide

D289-0168 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-methylphenyl)acetamide
D289-0168 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0168
2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-methylphenyl)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

D289-0168

Molecular Formula

C21H17BrN2O3S (C21 H17 BrN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CN(c(ccc(Br)c2)c2-c2c3cccc2)S3(=O)=O)=O)c1

InChI

InChI=1S/C21H17BrN2O3S/c1-14-5-4-6-16(11-14)23-21(25)13-24-19-10-9-15(22)12-18(19)17-7-2-3-8-20(17)28(24,26)27/h2-12H,13H2,1H3,(H,23,25)

InChI Key

MMNLAXFOCGOGPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

4.979

Water Solubility, LogSw

-4.59

Polar Surface Area

53.911

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D289-0168 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D289-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0168?
Check Price and Availability of D289-0168, 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 D289-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0168
  • 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 D289-0168 available by request