D656-0049 Screening compound: 6-bromo-N-(8-ethoxyquinolin-5-yl)-3-methyl-1-benzofuran-2-carboxamide

D656-0049 Screening compound: 6-bromo-N-(8-ethoxyquinolin-5-yl)-3-methyl-1-benzofuran-2-carboxamide
D656-0049 Screening compound: 6-bromo-N-(8-ethoxyquinolin-5-yl)-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D656-0049
6-bromo-N-(8-ethoxyquinolin-5-yl)-3-methyl-1-benzofuran-2-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

D656-0049

Molecular Formula

C21H17BrN2O3 (C21 H17 BrN2 O3)

Compound Name

6-bromo-N-(8-ethoxyquinolin-5-yl)-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

6-bromo-N-(8-ethoxyquinolin-5-yl)-3-methyl-1-benzofuran-2-carboxamide

SMILES

CCOc(c1ncccc11)ccc1NC(c1c(C)c(ccc(Br)c2)c2o1)=O

InChI

InChI=1S/C21H17BrN2O3/c1-3-26-17-9-8-16(15-5-4-10-23-19(15)17)24-21(25)20-12(2)14-7-6-13(22)11-18(14)27-20/h4-11H,3H2,1-2H3,(H,24,25)

InChI Key

LFDAQHMIQRJULR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.197

Distribution Coefficient, logD

5.194

Water Solubility, LogSw

-5.26

Polar Surface Area

47.901

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D656-0049 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

C-Met Library (15277 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D656-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D656-0049?
Check Price and Availability of D656-0049, 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 D656-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D656-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D656-0049
  • 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 D656-0049 available by request