G663-0891 Screening compound: 3-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-4-one

G663-0891 Screening compound: 3-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-4-one
G663-0891 Screening compound: 3-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G663-0891
3-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-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

G663-0891

Molecular Formula

C24H24N4O3 (C24 H24 N4 O3)

Compound Name

3-{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-4-one

IUPAC name

3-{[2-(4-ethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}-3H4H6H7H8H9H-pyrimido[45-b]quinolin-4-one

SMILES

CCOc(cc1)ccc1-c1nc(CN(C=Nc2c3cc(CCCC4)c4n2)C3=O)c(C)o1

InChI

InChI=1S/C24H24N4O3/c1-3-30-18-10-8-16(9-11-18)23-27-21(15(2)31-23)13-28-14-25-22-19(24(28)29)12-17-6-4-5-7-20(17)26-22/h8-12,14H,3-7,13H2,1-2H3

InChI Key

IBCTXMLEBWJLAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15027094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.28

Polar Surface Area

62.198

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G663-0891 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G663-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G663-0891?
Check Price and Availability of G663-0891, 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 G663-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G663-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G663-0891
  • 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 G663-0891 available by request