D289-0037 Screening compound: N~1~-isobutyl-2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

D289-0037 Screening compound: N~1~-isobutyl-2-[9-isopropyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
D289-0037 Screening compound: N~1~-isobutyl-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 D289-0037
N~1~-isobutyl-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

D289-0037

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

N~1~-isobutyl-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-methylpropyl)acetamide

SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-14(2)12-22-21(24)13-23-19-10-9-16(15(3)4)11-18(19)17-7-5-6-8-20(17)27(23,25)26/h5-11,14-15H,12-13H2,1-4H3,(H,22,24)

InChI Key

CLAXLYSOBUUSKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219229

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.22

Polar Surface Area

55.505

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with D289-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0037?
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What is the minimum amount of D289-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0037
  • 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 D289-0037 available by request