G777-0040 Screening compound: 8-{[2-(3-PYRIDYL)PIPERIDINO]CARBONYL}-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE

G777-0040 Screening compound: 8-{[2-(3-PYRIDYL)PIPERIDINO]CARBONYL}-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE
G777-0040 Screening compound: 8-{[2-(3-PYRIDYL)PIPERIDINO]CARBONYL}-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound G777-0040
8-{[2-(3-PYRIDYL)PIPERIDINO]CARBONYL}-2,3-DIHYDRO-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

G777-0040

Molecular Formula

C20H20N2O2S (C20 H20 N2 O2 S)

Compound Name

8-{[2-(3-PYRIDYL)PIPERIDINO]CARBONYL}-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE

IUPAC name

n/a

SMILES

O=C(c1cccc2c1SCCC2=O)N(CCCC1)C1c1cnccc1

InChI

InChI=1S/C20H20N2O2S/c23-18-9-12-25-19-15(18)6-3-7-16(19)20(24)22-11-2-1-8-17(22)14-5-4-10-21-13-14/h3-7,10,13,17H,1-2,8-9,11-12H2/t17-/m0/s1

InChI Key

AJVIOMYHUHWZJB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15035186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.519

Distribution Coefficient, logD

2.519

Water Solubility, LogSw

-2.41

Polar Surface Area

38.995

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

G777-0040 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G777-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G777-0040?
Check Price and Availability of G777-0040, 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 G777-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G777-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G777-0040
  • 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 G777-0040 available by request