D289-0325 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(1-methyl-3-phenylpropyl)acetamide

D289-0325 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(1-methyl-3-phenylpropyl)acetamide
D289-0325 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(1-methyl-3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0325
2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(1-methyl-3-phenylpropyl)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

D289-0325

Molecular Formula

C24H23BrN2O3S (C24 H23 BrN2 O3 S)

Compound Name

2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(1-methyl-3-phenylpropyl)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-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(CN(c(ccc(Br)c1)c1-c1c2cccc1)S2(=O)=O)=O

InChI

InChI=1S/C24H23BrN2O3S/c1-17(11-12-18-7-3-2-4-8-18)26-24(28)16-27-22-14-13-19(25)15-21(22)20-9-5-6-10-23(20)31(27,29)30/h2-10,13-15,17H,11-12,16H2,1H3,(H,26,28)/t17-/m0/s1

InChI Key

JPJYAFRXFAUFFC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD09219426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.43

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

5.148

Distribution Coefficient, logD

5.148

Water Solubility, LogSw

-4.95

Polar Surface Area

54.675

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D289-0325 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D289-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0325?
Check Price and Availability of D289-0325, 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 D289-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0325
  • 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 D289-0325 available by request