Y030-4851 Screening compound: 1-[2-methoxy-4-(methylsulfanyl)benzoyl]-1,2,3,4-tetrahydroquinoline

Y030-4851 Screening compound: 1-[2-methoxy-4-(methylsulfanyl)benzoyl]-1,2,3,4-tetrahydroquinoline
Y030-4851 Screening compound: 1-[2-methoxy-4-(methylsulfanyl)benzoyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-4851
1-[2-methoxy-4-(methylsulfanyl)benzoyl]-1,2,3,4-tetrahydroquinoline

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

Y030-4851

Molecular Formula

C18H19NO2S (C18 H19 NO2 S)

Compound Name

1-[2-methoxy-4-(methylsulfanyl)benzoyl]-1,2,3,4-tetrahydroquinoline

IUPAC name

1-[2-methoxy-4-(methylsulfanyl)benzoyl]-1234-tetrahydroquinoline

SMILES

COc(cc(cc1)SC)c1C(N(CCC1)c2c1cccc2)=O

InChI

InChI=1S/C18H19NO2S/c1-21-17-12-14(22-2)9-10-15(17)18(20)19-11-5-7-13-6-3-4-8-16(13)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3

InChI Key

LEZNSIJLAKWBGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.31

Polar Surface Area

23.182

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y030-4851 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y030-4851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-4851?
Check Price and Availability of Y030-4851, 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 Y030-4851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-4851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-4851
  • 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 Y030-4851 available by request