G663-1052 Screening compound: N-(4-acetylphenyl)-2-{7-methyl-4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide

G663-1052 Screening compound: N-(4-acetylphenyl)-2-{7-methyl-4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide
G663-1052 Screening compound: N-(4-acetylphenyl)-2-{7-methyl-4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G663-1052
N-(4-acetylphenyl)-2-{7-methyl-4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide

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

G663-1052

Molecular Formula

C22H22N4O3 (C22 H22 N4 O3)

Compound Name

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

IUPAC name

N-(4-acetylphenyl)-2-{7-methyl-4-oxo-3H4H6H7H8H9H-pyrimido[45-b]quinolin-3-yl}acetamide

SMILES

CC1Cc2cc(C(N(CC(Nc(cc3)ccc3C(C)=O)=O)C=N3)=O)c3nc2CC1

InChI

InChI=1S/C22H22N4O3/c1-13-3-8-19-16(9-13)10-18-21(25-19)23-12-26(22(18)29)11-20(28)24-17-6-4-15(5-7-17)14(2)27/h4-7,10,12-13H,3,8-9,11H2,1-2H3,(H,24,28)/t13-/m1/s1

InChI Key

JVTHGNPTRCSTOX-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD15027137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.39

Polar Surface Area

73.928

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

G663-1052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G663-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G663-1052?
Check Price and Availability of G663-1052, 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 G663-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G663-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G663-1052
  • 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 G663-1052 available by request