G646-0612 Screening compound: ethyl 2-{2-[6-chloro-4-oxo-3-(pyridine-4-carbonyl)-1,4-dihydroquinolin-1-yl]acetamido}benzoate

G646-0612 Screening compound: ethyl 2-{2-[6-chloro-4-oxo-3-(pyridine-4-carbonyl)-1,4-dihydroquinolin-1-yl]acetamido}benzoate
G646-0612 Screening compound: ethyl 2-{2-[6-chloro-4-oxo-3-(pyridine-4-carbonyl)-1,4-dihydroquinolin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G646-0612
ethyl 2-{2-[6-chloro-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

G646-0612

Molecular Formula

C26H20ClN3O5 (C26 H20 ClN3 O5)

Compound Name

ethyl 2-{2-[6-chloro-4-oxo-3-(pyridine-4-carbonyl)-1,4-dihydroquinolin-1-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[6-chloro-4-oxo-3-(pyridine-4-carbonyl)-14-dihydroquinolin-1-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C=C1C(c2ccncc2)=O)c(ccc(Cl)c2)c2C1=O)=O)=O

InChI

InChI=1S/C26H20ClN3O5/c1-2-35-26(34)18-5-3-4-6-21(18)29-23(31)15-30-14-20(24(32)16-9-11-28-12-10-16)25(33)19-13-17(27)7-8-22(19)30/h3-14H,2,15H2,1H3,(H,29,31)

InChI Key

JNDWUKQULVOUMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-4.11

Polar Surface Area

81.663

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

G646-0612 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 G646-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G646-0612?
Check Price and Availability of G646-0612, 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 G646-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G646-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G646-0612
  • 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 G646-0612 available by request