G663-0786 Screening compound: 2-({4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)benzonitrile

G663-0786 Screening compound: 2-({4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)benzonitrile
G663-0786 Screening compound: 2-({4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G663-0786
2-({4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)benzonitrile

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

G663-0786

Molecular Formula

C19H16N4O (C19 H16 N4 O)

Compound Name

2-({4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}methyl)benzonitrile

IUPAC name

2-({4-oxo-3H4H6H7H8H9H-pyrimido[45-b]quinolin-3-yl}methyl)benzonitrile

SMILES

N#Cc1c(CN(C=Nc2c3cc(CCCC4)c4n2)C3=O)cccc1

InChI

InChI=1S/C19H16N4O/c20-10-14-6-1-2-7-15(14)11-23-12-21-18-16(19(23)24)9-13-5-3-4-8-17(13)22-18/h1-2,6-7,9,12H,3-5,8,11H2

InChI Key

LZZXXKGBIQLTRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15027070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.41

Polar Surface Area

54.008

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G663-0786 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with G663-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G663-0786?
Check Price and Availability of G663-0786, 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 G663-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G663-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G663-0786
  • 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 G663-0786 available by request