E022-0933 Screening compound: 2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one

E022-0933 Screening compound: 2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one
E022-0933 Screening compound: 2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0933
2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-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

E022-0933

Molecular Formula

C22H24ClN3O2S (C22 H24 ClN3 O2 S)

Compound Name

2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one

IUPAC name

2-{1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}-23-dihydro-12-benzothiazol-3-one

SMILES

CCC(C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C22H24ClN3O2S/c1-3-18(26-21(27)17-6-4-5-7-20(17)29-26)22(28)25-12-10-24(11-13-25)19-14-16(23)9-8-15(19)2/h4-9,14,18H,3,10-13H2,1-2H3/t18-/m0/s1

InChI Key

OIBDLMZXQFSWHF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14840618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

4.791

Water Solubility, LogSw

-4.81

Polar Surface Area

35.992

Acid Dissociation Constant (pKa)

20.69

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E022-0933 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E022-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0933?
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What is the minimum amount of E022-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0933
  • 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 E022-0933 available by request