Y040-6012 Screening compound: 2-(pyridin-3-yl)-4-(thiomorpholine-4-carbonyl)quinoline

Y040-6012 Screening compound: 2-(pyridin-3-yl)-4-(thiomorpholine-4-carbonyl)quinoline
Y040-6012 Screening compound: 2-(pyridin-3-yl)-4-(thiomorpholine-4-carbonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6012
2-(pyridin-3-yl)-4-(thiomorpholine-4-carbonyl)quinoline

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

Y040-6012

Molecular Formula

C19H17N3OS (C19 H17 N3 OS)

Compound Name

2-(pyridin-3-yl)-4-(thiomorpholine-4-carbonyl)quinoline

IUPAC name

2-(pyridin-3-yl)-4-(thiomorpholine-4-carbonyl)quinoline

SMILES

O=C(c1cc(-c2cnccc2)nc2ccccc12)N1CCSCC1

InChI

InChI=1S/C19H17N3OS/c23-19(22-8-10-24-11-9-22)16-12-18(14-4-3-7-20-13-14)21-17-6-2-1-5-15(16)17/h1-7,12-13H,8-11H2

InChI Key

NHJSKTILQHATTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12213172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-3.09

Polar Surface Area

34.464

Acid Dissociation Constant (pKa)

28.46

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

Y040-6012 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y040-6012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6012?
Check Price and Availability of Y040-6012, 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 Y040-6012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6012
  • 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 Y040-6012 available by request