E022-0652 Screening compound: 2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one

E022-0652 Screening compound: 2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one
E022-0652 Screening compound: 2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0652
2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one

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

E022-0652

Molecular Formula

C19H19N3O4S (C19 H19 N3 O4 S)

Compound Name

2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one

IUPAC name

2-{1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl}-23-dihydro-12-benzothiazol-3-one

SMILES

CC(C(N(CC1)CCN1C(c1ccco1)=O)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C19H19N3O4S/c1-13(22-18(24)14-5-2-3-7-16(14)27-22)17(23)20-8-10-21(11-9-20)19(25)15-6-4-12-26-15/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1

InChI Key

BVUKDCOALBQAJZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14840536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.447

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-2.18

Polar Surface Area

58.483

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

E022-0652 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E022-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0652?
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What is the minimum amount of E022-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0652
  • 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 E022-0652 available by request