G546-0791 Screening compound: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-(pyridin-2-yl)quinoline-4-carboxamide

G546-0791 Screening compound: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-(pyridin-2-yl)quinoline-4-carboxamide
G546-0791 Screening compound: N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-(pyridin-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G546-0791
N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-(pyridin-2-yl)quinoline-4-carboxamide

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

G546-0791

Molecular Formula

C28H24N4O4 (C28 H24 N4 O4)

Compound Name

N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-2-(pyridin-2-yl)quinoline-4-carboxamide

IUPAC name

N-[3-(34-diethoxyphenyl)-12-oxazol-5-yl]-2-(pyridin-2-yl)quinoline-4-carboxamide

SMILES

CCOc(ccc(-c1noc(NC(c2cc(-c3ncccc3)nc3ccccc23)=O)c1)c1)c1OCC

InChI

InChI=1S/C28H24N4O4/c1-3-34-25-13-12-18(15-26(25)35-4-2)23-17-27(36-32-23)31-28(33)20-16-24(22-11-7-8-14-29-22)30-21-10-6-5-9-19(20)21/h5-17H,3-4H2,1-2H3,(H,31,33)

InChI Key

QSICTTPEPDDRFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27143858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.012

Distribution Coefficient, logD

5.012

Water Solubility, LogSw

-4.78

Polar Surface Area

77.138

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G546-0791 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G546-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G546-0791?
Check Price and Availability of G546-0791, 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 G546-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G546-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G546-0791
  • 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 G546-0791 available by request