J092-0144 Screening compound: 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one

J092-0144 Screening compound: 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one
J092-0144 Screening compound: 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J092-0144
3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-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

J092-0144

Molecular Formula

C16H15NO3S (C16 H15 NO3 S)

Compound Name

3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-23-dihydro-1H-indol-2-one

SMILES

Cc1ccc(C(CC(c(cc(C)cc2)c2N2)(C2=O)O)=O)s1

InChI

InChI=1S/C16H15NO3S/c1-9-3-5-12-11(7-9)16(20,15(19)17-12)8-13(18)14-6-4-10(2)21-14/h3-7,20H,8H2,1-2H3,(H,17,19)/t16-/m0/s1

InChI Key

PRDHBOKIXJBFCI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08069593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.880

Distribution Coefficient, logD

2.880

Water Solubility, LogSw

-3.34

Polar Surface Area

54.836

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

J092-0144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with J092-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J092-0144?
Check Price and Availability of J092-0144, 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 J092-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J092-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J092-0144
  • 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 J092-0144 available by request