E022-0884 Screening compound: N-{4-[(morpholin-4-yl)methyl]phenyl}-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

E022-0884 Screening compound: N-{4-[(morpholin-4-yl)methyl]phenyl}-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide
E022-0884 Screening compound: N-{4-[(morpholin-4-yl)methyl]phenyl}-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0884
N-{4-[(morpholin-4-yl)methyl]phenyl}-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

E022-0884

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

N-{4-[(morpholin-4-yl)methyl]phenyl}-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

IUPAC name

N-{4-[(morpholin-4-yl)methyl]phenyl}-2-(3-oxo-23-dihydro-12-benzothiazol-2-yl)propanamide

SMILES

CC(C(Nc1ccc(CN2CCOCC2)cc1)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C21H23N3O3S/c1-15(24-21(26)18-4-2-3-5-19(18)28-24)20(25)22-17-8-6-16(7-9-17)14-23-10-12-27-13-11-23/h2-9,15H,10-14H2,1H3,(H,22,25)/t15-/m0/s1

InChI Key

YKTBFEJLTPEIRV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14840599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.192

Distribution Coefficient, logD

2.136

Water Solubility, LogSw

-3.03

Polar Surface Area

51.532

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E022-0884 in Drug Discovery

Included in Screening Libraries

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:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E022-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0884?
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What is the minimum amount of E022-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0884
  • 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 E022-0884 available by request