D289-0027 Screening compound: 2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-pentylacetamide

D289-0027 Screening compound: 2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-pentylacetamide
D289-0027 Screening compound: 2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-pentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0027
2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-pentylacetamide

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

D289-0027

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCNC(CN(c(ccc(CC)c1)c1-c1c2cccc1)S2(=O)=O)=O

InChI

InChI=1S/C21H26N2O3S/c1-3-5-8-13-22-21(24)15-23-19-12-11-16(4-2)14-18(19)17-9-6-7-10-20(17)27(23,25)26/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3,(H,22,24)

InChI Key

DITGVODEDUWFAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.21

Polar Surface Area

55.347

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with D289-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0027?
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What is the minimum amount of D289-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0027
  • 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 D289-0027 available by request