D289-0270 Screening compound: N~1~-(2-ethyl-6-methylphenyl)-2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

D289-0270 Screening compound: N~1~-(2-ethyl-6-methylphenyl)-2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
D289-0270 Screening compound: N~1~-(2-ethyl-6-methylphenyl)-2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0270
N~1~-(2-ethyl-6-methylphenyl)-2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]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

D289-0270

Molecular Formula

C26H28N2O3S (C26 H28 N2 O3 S)

Compound Name

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

SMILES

CCc(cccc1C)c1NC(CN(c(ccc(C(C)C)c1)c1-c1c2cccc1)S2(=O)=O)=O

InChI

InChI=1S/C26H28N2O3S/c1-5-19-10-8-9-18(4)26(19)27-25(29)16-28-23-14-13-20(17(2)3)15-22(23)21-11-6-7-12-24(21)32(28,30)31/h6-15,17H,5,16H2,1-4H3,(H,27,29)

InChI Key

KLXMYFLRHBQLJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.895

Distribution Coefficient, logD

5.895

Water Solubility, LogSw

-5.52

Polar Surface Area

52.516

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D289-0270 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D289-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0270?
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What is the minimum amount of D289-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0270
  • 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 D289-0270 available by request