E022-0876 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

E022-0876 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
E022-0876 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0876
2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]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

E022-0876

Molecular Formula

C21H24N2O5S (C21 H24 N2 O5 S)

Compound Name

2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

IUPAC name

2-(3-oxo-23-dihydro-12-benzothiazol-2-yl)-N-[2-(234-trimethoxyphenyl)ethyl]propanamide

SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-13(23-21(25)15-7-5-6-8-17(15)29-23)20(24)22-12-11-14-9-10-16(26-2)19(28-4)18(14)27-3/h5-10,13H,11-12H2,1-4H3,(H,22,24)/t13-/m0/s1

InChI Key

XLRBWBNPQATWHS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14840594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-3.29

Polar Surface Area

64.119

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E022-0876 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E022-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0876?
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What is the minimum amount of E022-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0876
  • 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 E022-0876 available by request