E022-0761 Screening compound: N-[(4-fluorophenyl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide

E022-0761 Screening compound: N-[(4-fluorophenyl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide
E022-0761 Screening compound: N-[(4-fluorophenyl)methyl]-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0761
N-[(4-fluorophenyl)methyl]-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

E022-0761

Molecular Formula

C17H15FN2O2S (C17 H15 FN2 O2 S)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-2-(3-oxo-23-dihydro-12-benzothiazol-2-yl)propanamide

SMILES

CC(C(NCc(cc1)ccc1F)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C17H15FN2O2S/c1-11(16(21)19-10-12-6-8-13(18)9-7-12)20-17(22)14-4-2-3-5-15(14)23-20/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m0/s1

InChI Key

FRZBOBYJVNQGEL-NSHDSACASA-N

MDL Number (MFCD)

MFCD14840577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.90

Polar Surface Area

41.213

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

E022-0761 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with E022-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0761?
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What is the minimum amount of E022-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0761
  • 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 E022-0761 available by request