G646-0547 Screening compound: ethyl 2-{2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)-1,4-dihydroquinolin-1-yl]acetamido}benzoate

G646-0547 Screening compound: ethyl 2-{2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)-1,4-dihydroquinolin-1-yl]acetamido}benzoate
G646-0547 Screening compound: ethyl 2-{2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)-1,4-dihydroquinolin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G646-0547
ethyl 2-{2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)-1,4-dihydroquinolin-1-yl]acetamido}benzoate

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

G646-0547

Molecular Formula

C27H23N3O6 (C27 H23 N3 O6)

Compound Name

ethyl 2-{2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)-1,4-dihydroquinolin-1-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)-14-dihydroquinolin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C=C1C(c2ccncc2)=O)c(cc(cc2)OC)c2C1=O)=O)=O

InChI

InChI=1S/C27H23N3O6/c1-3-36-27(34)19-6-4-5-7-22(19)29-24(31)16-30-15-21(25(32)17-10-12-28-13-11-17)26(33)20-9-8-18(35-2)14-23(20)30/h4-15H,3,16H2,1-2H3,(H,29,31)

InChI Key

RHOKYTWDCNWBSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-3.84

Polar Surface Area

89.207

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G646-0547 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G646-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G646-0547?
Check Price and Availability of G646-0547, 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 G646-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G646-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G646-0547
  • 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 G646-0547 available by request