E957-0696 Screening compound: N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-3-(2-methylbenzamido)-1-benzofuran-2-carboxamide

E957-0696 Screening compound: N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-3-(2-methylbenzamido)-1-benzofuran-2-carboxamide
E957-0696 Screening compound: N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-3-(2-methylbenzamido)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0696
N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-3-(2-methylbenzamido)-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

E957-0696

Molecular Formula

C26H27N3O4 (C26 H27 N3 O4)

Compound Name

N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-3-(2-methylbenzamido)-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-3-(2-methylbenzamido)-1-benzofuran-2-carboxamide

SMILES

Cc(cccc1)c1C(Nc1c(C(N(CCN(C)C)Cc2ccco2)=O)oc2c1cccc2)=O

InChI

InChI=1S/C26H27N3O4/c1-18-9-4-5-11-20(18)25(30)27-23-21-12-6-7-13-22(21)33-24(23)26(31)29(15-14-28(2)3)17-19-10-8-16-32-19/h4-13,16H,14-15,17H2,1-3H3,(H,27,30)

InChI Key

UAUWRUBELVDTBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.745

Distribution Coefficient, logD

3.745

Water Solubility, LogSw

-3.87

Polar Surface Area

58.264

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

E957-0696 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E957-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0696?
Check Price and Availability of E957-0696, 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 E957-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0696
  • 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 E957-0696 available by request