G663-0176 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide

G663-0176 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-3-yl}acetamide
G663-0176 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-2-{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 G663-0176
N-[(5-bromo-2-methoxyphenyl)methyl]-2-{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

G663-0176

Molecular Formula

C21H21BrN4O3 (C21 H21 BrN4 O3)

Compound Name

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

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-2-{4-oxo-3H4H6H7H8H9H-pyrimido[45-b]quinolin-3-yl}acetamide

SMILES

COc(cc1)c(CNC(CN(C=Nc2c3cc(CCCC4)c4n2)C3=O)=O)cc1Br

InChI

InChI=1S/C21H21BrN4O3/c1-29-18-7-6-15(22)8-14(18)10-23-19(27)11-26-12-24-20-16(21(26)28)9-13-4-2-3-5-17(13)25-20/h6-9,12H,2-5,10-11H2,1H3,(H,23,27)

InChI Key

ASJANJBGVCYJEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27150116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.59

Polar Surface Area

69.054

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G663-0176 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G663-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G663-0176?
Check Price and Availability of G663-0176, 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 G663-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G663-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G663-0176
  • 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 G663-0176 available by request