D289-0286 Screening compound: 2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-morpholinopropyl)acetamide

D289-0286 Screening compound: 2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-morpholinopropyl)acetamide
D289-0286 Screening compound: 2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-morpholinopropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0286
2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-morpholinopropyl)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

D289-0286

Molecular Formula

C24H31N3O4S (C24 H31 N3 O4 S)

Compound Name

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

IUPAC name

2-[88-dioxo-13-(propan-2-yl)-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaen-9-yl]-N-[3-(morpholin-4-yl)propyl]acetamide

SMILES

CC(C)c(cc1)cc(-c2c3cccc2)c1N(CC(NCCCN1CCOCC1)=O)S3(=O)=O

InChI

InChI=1S/C24H31N3O4S/c1-18(2)19-8-9-22-21(16-19)20-6-3-4-7-23(20)32(29,30)27(22)17-24(28)25-10-5-11-26-12-14-31-15-13-26/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H,25,28)

InChI Key

HTRYMYXNFYLVDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.841

Distribution Coefficient, logD

2.417

Water Solubility, LogSw

-3.63

Polar Surface Area

66.966

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

D289-0286 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D289-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0286?
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What is the minimum amount of D289-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0286
  • 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 D289-0286 available by request