G617-0042 Screening compound: 6-methyl-3-(morpholin-4-yl)-4H-thiochromen-4-one

G617-0042 Screening compound: 6-methyl-3-(morpholin-4-yl)-4H-thiochromen-4-one
G617-0042 Screening compound: 6-methyl-3-(morpholin-4-yl)-4H-thiochromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G617-0042
6-methyl-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

G617-0042

Molecular Formula

C14H15NO2S (C14 H15 NO2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C2=O)c1SC=C2N1CCOCC1

InChI

InChI=1S/C14H15NO2S/c1-10-2-3-13-11(8-10)14(16)12(9-18-13)15-4-6-17-7-5-15/h2-3,8-9H,4-7H2,1H3

InChI Key

WWTDHVYGKDUARU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07190581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.34

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

2.709

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-3.03

Polar Surface Area

24.393

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

G617-0042 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with G617-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G617-0042?
Check Price and Availability of G617-0042, 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 G617-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G617-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G617-0042
  • 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 G617-0042 available by request