Y300-3077 Screening compound: 4-[(4-methylphenyl)methanesulfonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

Y300-3077 Screening compound: 4-[(4-methylphenyl)methanesulfonyl]-1,2,3,4-tetrahydroquinoxalin-2-one
Y300-3077 Screening compound: 4-[(4-methylphenyl)methanesulfonyl]-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-3077
4-[(4-methylphenyl)methanesulfonyl]-1,2,3,4-tetrahydroquinoxalin-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

Y300-3077

Molecular Formula

C16H16N2O3S (C16 H16 N2 O3 S)

Compound Name

4-[(4-methylphenyl)methanesulfonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

4-[(4-methylphenyl)methanesulfonyl]-1234-tetrahydroquinoxalin-2-one

SMILES

Cc1ccc(CS(N(C2)c(cccc3)c3NC2=O)(=O)=O)cc1

InChI

InChI=1S/C16H16N2O3S/c1-12-6-8-13(9-7-12)11-22(20,21)18-10-16(19)17-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,17,19)

InChI Key

XFOWSEAROLAHLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09872168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

2.016

Water Solubility, LogSw

-2.56

Polar Surface Area

56.119

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

Y300-3077 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y300-3077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-3077?
Check Price and Availability of Y300-3077, 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 Y300-3077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-3077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-3077
  • 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 Y300-3077 available by request