G857-0134 Screening compound: 1-[3-(morpholin-4-yl)propyl]-4-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

G857-0134 Screening compound: 1-[3-(morpholin-4-yl)propyl]-4-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
G857-0134 Screening compound: 1-[3-(morpholin-4-yl)propyl]-4-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0134
1-[3-(morpholin-4-yl)propyl]-4-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-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

G857-0134

Molecular Formula

C25H32N4O3S (C25 H32 N4 O3 S)

Compound Name

1-[3-(morpholin-4-yl)propyl]-4-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

IUPAC name

1-[3-(morpholin-4-yl)propyl]-4-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

O=C(CSC(C(CCC1)=C1N1CCCN2CCOCC2)=NC1=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C25H32N4O3S/c30-23(28-12-4-7-19-6-1-2-9-21(19)28)18-33-24-20-8-3-10-22(20)29(25(31)26-24)13-5-11-27-14-16-32-17-15-27/h1-2,6,9H,3-5,7-8,10-18H2

InChI Key

HNUBALHZUNEFCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07803920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.431

Distribution Coefficient, logD

2.238

Water Solubility, LogSw

-2.46

Polar Surface Area

51.412

Acid Dissociation Constant (pKa)

23.03

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

G857-0134 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G857-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0134?
Check Price and Availability of G857-0134, 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 G857-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0134
  • 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 G857-0134 available by request