E198-0117 Screening compound: 1,3,3-trimethyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one

E198-0117 Screening compound: 1,3,3-trimethyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one
E198-0117 Screening compound: 1,3,3-trimethyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E198-0117
1,3,3-trimethyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-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

E198-0117

Molecular Formula

C16H23N3O3S (C16 H23 N3 O3 S)

Compound Name

1,3,3-trimethyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

133-trimethyl-5-[(4-methylpiperazin-1-yl)sulfonyl]-23-dihydro-1H-indol-2-one

SMILES

CC(C)(c(cc(cc1)S(N2CCN(C)CC2)(=O)=O)c1N1C)C1=O

InChI

InChI=1S/C16H23N3O3S/c1-16(2)13-11-12(5-6-14(13)18(4)15(16)20)23(21,22)19-9-7-17(3)8-10-19/h5-6,11H,7-10H2,1-4H3

InChI Key

CSNJKUTTWAHCGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.219

Distribution Coefficient, logD

1.156

Water Solubility, LogSw

-2.49

Polar Surface Area

50.932

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

E198-0117 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Purinergic Library (3321 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E198-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E198-0117?
Check Price and Availability of E198-0117, 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 E198-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E198-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E198-0117
  • 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 E198-0117 available by request