Y031-2650 Screening compound: 3-(benzenesulfonyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one

Y031-2650 Screening compound: 3-(benzenesulfonyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one
Y031-2650 Screening compound: 3-(benzenesulfonyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2650
3-(benzenesulfonyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-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

Y031-2650

Molecular Formula

C18H19NO3S (C18 H19 NO3 S)

Compound Name

3-(benzenesulfonyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one

IUPAC name

3-(benzenesulfonyl)-1-(1234-tetrahydroquinolin-1-yl)propan-1-one

SMILES

O=C(CCS(c1ccccc1)(=O)=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C18H19NO3S/c20-18(12-14-23(21,22)16-9-2-1-3-10-16)19-13-6-8-15-7-4-5-11-17(15)19/h1-5,7,9-11H,6,8,12-14H2

InChI Key

NJLGMWUUELXFKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05924092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-3.09

Polar Surface Area

44.060

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y031-2650 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-2650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2650?
Check Price and Availability of Y031-2650, 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 Y031-2650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2650
  • 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 Y031-2650 available by request