G857-0151 Screening compound: 1-[2-(DIMETHYLAMINO)ETHYL]-4-{[2-OXO-2-(1,2,3,4-TETRAHYDROQUINOLIN-1-YL)ETHYL]SULFANYL}-1H,2H,5H,6H,7H-CYCLOPENTA[D]PYRIMIDIN-2-ONE

G857-0151 Screening compound: 1-[2-(DIMETHYLAMINO)ETHYL]-4-{[2-OXO-2-(1,2,3,4-TETRAHYDROQUINOLIN-1-YL)ETHYL]SULFANYL}-1H,2H,5H,6H,7H-CYCLOPENTA[D]PYRIMIDIN-2-ONE
G857-0151 Screening compound: 1-[2-(DIMETHYLAMINO)ETHYL]-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 G857-0151
1-[2-(DIMETHYLAMINO)ETHYL]-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

G857-0151

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

1-[2-(DIMETHYLAMINO)ETHYL]-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-[2-(dimethylamino)ethyl]-4-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

CN(C)CCN(C(CCC1)=C1C(SCC(N(CCC1)c2c1cccc2)=O)=N1)C1=O

InChI

InChI=1S/C22H28N4O2S/c1-24(2)13-14-26-19-11-5-9-17(19)21(23-22(26)28)29-15-20(27)25-12-6-8-16-7-3-4-10-18(16)25/h3-4,7,10H,5-6,8-9,11-15H2,1-2H3

InChI Key

QKNMIWNFEIJDMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07650063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.560

Distribution Coefficient, logD

1.058

Water Solubility, LogSw

-2.57

Polar Surface Area

43.658

Acid Dissociation Constant (pKa)

23.03

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G857-0151 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G857-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0151?
Check Price and Availability of G857-0151, 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 G857-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0151
  • 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 G857-0151 available by request