G864-0191 Screening compound: 2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

G864-0191 Screening compound: 2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
G864-0191 Screening compound: 2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0191
2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-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

G864-0191

Molecular Formula

C24H22N4O2S (C24 H22 N4 O2 S)

Compound Name

2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

2-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

C=CCN(C1=O)C(SCC(N(CCC2)c3c2cccc3)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C24H22N4O2S/c1-2-13-28-23(30)22-21(17-10-4-5-11-18(17)25-22)26-24(28)31-15-20(29)27-14-7-9-16-8-3-6-12-19(16)27/h2-6,8,10-12,25H,1,7,9,13-15H2

InChI Key

QWXKLKBEVYWZOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.14

Polar Surface Area

49.036

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G864-0191 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G864-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0191?
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What is the minimum amount of G864-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0191
  • 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 G864-0191 available by request