G617-0018 Screening compound: 3-(morpholin-4-yl)-4H-thiochromen-4-one

G617-0018 Screening compound: 3-(morpholin-4-yl)-4H-thiochromen-4-one
G617-0018 Screening compound: 3-(morpholin-4-yl)-4H-thiochromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G617-0018
3-(morpholin-4-yl)-4H-thiochromen-4-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

G617-0018

Molecular Formula

C13H13NO2S (C13 H13 NO2 S)

Compound Name

3-(morpholin-4-yl)-4H-thiochromen-4-one

IUPAC name

3-(morpholin-4-yl)-4H-thiochromen-4-one

SMILES

O=C1C(N2CCOCC2)=CSc2c1cccc2

InChI

InChI=1S/C13H13NO2S/c15-13-10-3-1-2-4-12(10)17-9-11(13)14-5-7-16-8-6-14/h1-4,9H,5-8H2

InChI Key

PUMVHOYXQZHZHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08003642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.233

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-2.74

Polar Surface Area

24.393

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G617-0018 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G617-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G617-0018?
Check Price and Availability of G617-0018, 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 G617-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G617-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G617-0018
  • 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 G617-0018 available by request