D289-0360 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

D289-0360 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-2-[9-ethyl-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
D289-0360 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-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 D289-0360
N~1~-(1,3-benzodioxol-5-ylmethyl)-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

D289-0360

Molecular Formula

C24H22N2O5S (C24 H22 N2 O5 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-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(NCc(cc1)cc2c1OCO2)=O)S3(=O)=O

InChI

InChI=1S/C24H22N2O5S/c1-2-16-7-9-20-19(11-16)18-5-3-4-6-23(18)32(28,29)26(20)14-24(27)25-13-17-8-10-21-22(12-17)31-15-30-21/h3-12H,2,13-15H2,1H3,(H,25,27)

InChI Key

SMGVCGSHEYVGJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.19

Polar Surface Area

72.349

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D289-0360 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D289-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0360?
Check Price and Availability of D289-0360, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D289-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0360
  • 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 D289-0360 available by request