E022-0878 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

E022-0878 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide
E022-0878 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0878
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

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

E022-0878

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

IUPAC name

N-[2-(25-dimethoxyphenyl)ethyl]-2-(3-oxo-23-dihydro-12-benzothiazol-2-yl)propanamide

SMILES

CC(C(NCCc(cc(cc1)OC)c1OC)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C20H22N2O4S/c1-13(22-20(24)16-6-4-5-7-18(16)27-22)19(23)21-11-10-14-12-15(25-2)8-9-17(14)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,23)/t13-/m0/s1

InChI Key

OUDWTDMEPFFDHR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14840596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.57

Polar Surface Area

56.229

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E022-0878 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E022-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0878?
Check Price and Availability of E022-0878, 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 E022-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0878
  • 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 E022-0878 available by request