D289-0329 Screening compound: N~1~-(3-bromophenyl)-2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

D289-0329 Screening compound: N~1~-(3-bromophenyl)-2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
D289-0329 Screening compound: N~1~-(3-bromophenyl)-2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0329
N~1~-(3-bromophenyl)-2-[9-ethyl-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

D289-0329

Molecular Formula

C22H19BrN2O3S (C22 H19 BrN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)cc(-c2c3cccc2)c1N(CC(Nc1cccc(Br)c1)=O)S3(=O)=O

InChI

InChI=1S/C22H19BrN2O3S/c1-2-15-10-11-20-19(12-15)18-8-3-4-9-21(18)29(27,28)25(20)14-22(26)24-17-7-5-6-16(23)13-17/h3-13H,2,14H2,1H3,(H,24,26)

InChI Key

OWIVQHFZLYTSKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

5.498

Water Solubility, LogSw

-5.44

Polar Surface Area

53.911

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D289-0329 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D289-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0329?
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What is the minimum amount of D289-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0329
  • 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 D289-0329 available by request