E022-0648 Screening compound: 2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1,2-benzothiazol-3-one

E022-0648 Screening compound: 2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1,2-benzothiazol-3-one
E022-0648 Screening compound: 2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1,2-benzothiazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E022-0648
2-[1-(3,5-dimethylpiperidin-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

E022-0648

Molecular Formula

C17H22N2O2S (C17 H22 N2 O2 S)

Compound Name

2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1,2-benzothiazol-3-one

IUPAC name

2-[1-(35-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-23-dihydro-12-benzothiazol-3-one

SMILES

CC(C(N1CC(C)CC(C)C1)=O)N1Sc(cccc2)c2C1=O

InChI

InChI=1S/C17H22N2O2S/c1-11-8-12(2)10-18(9-11)16(20)13(3)19-17(21)14-6-4-5-7-15(14)22-19/h4-7,11-13H,8-10H2,1-3H3

InChI Key

IHGWTBVMZNOSTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.46

Polar Surface Area

33.315

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.90

E022-0648 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E022-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E022-0648?
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What is the minimum amount of E022-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E022-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E022-0648
  • 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 E022-0648 available by request