E022-0656 Screening compound: 2-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one

E022-0656 Screening compound: 2-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one
E022-0656 Screening compound: 2-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1,2-benzothiazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0656
2-{1-[4-(4-methoxyphenyl)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

E022-0656

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCN1c(cc1)ccc1OC)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C21H23N3O3S/c1-15(24-21(26)18-5-3-4-6-19(18)28-24)20(25)23-13-11-22(12-14-23)16-7-9-17(27-2)10-8-16/h3-10,15H,11-14H2,1-2H3/t15-/m0/s1

InChI Key

BNZXFBWXQOLURO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14840538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

2.977

Water Solubility, LogSw

-3.44

Polar Surface Area

44.252

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E022-0656 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E022-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0656?
Check Price and Availability of E022-0656, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E022-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0656
  • 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 E022-0656 available by request