D289-0130 Screening compound: 2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-phenethylacetamide

D289-0130 Screening compound: 2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-phenethylacetamide
D289-0130 Screening compound: 2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0130
2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-phenethylacetamide

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

D289-0130

Molecular Formula

C25H26N2O3S (C25 H26 N2 O3 S)

Compound Name

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

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-phenylethyl)acetamide

SMILES

CC(C)c(cc1)cc(-c2c3cccc2)c1N(CC(NCCc1ccccc1)=O)S3(=O)=O

InChI

InChI=1S/C25H26N2O3S/c1-18(2)20-12-13-23-22(16-20)21-10-6-7-11-24(21)31(29,30)27(23)17-25(28)26-15-14-19-8-4-3-5-9-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,26,28)

InChI Key

KHEMBOBQPZMFTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

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

4.579

Distribution Coefficient, logD

4.579

Water Solubility, LogSw

-4.39

Polar Surface Area

55.075

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with D289-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0130?
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What is the minimum amount of D289-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0130
  • 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 D289-0130 available by request