E957-1098 Screening compound: 2-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

E957-1098 Screening compound: 2-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
E957-1098 Screening compound: 2-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-1098
2-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

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

E957-1098

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

2-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

IUPAC name

2-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

SMILES

CN(CC1)CCN1C(c(oc1c2cccc1)c2NC(c(cccc1)c1OC)=O)=O

InChI

InChI=1S/C22H23N3O4/c1-24-11-13-25(14-12-24)22(27)20-19(15-7-3-6-10-18(15)29-20)23-21(26)16-8-4-5-9-17(16)28-2/h3-10H,11-14H2,1-2H3,(H,23,26)

InChI Key

BIDNDUHADSCRNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

0.616

Water Solubility, LogSw

-3.02

Polar Surface Area

58.215

Acid Dissociation Constant (pKa)

5.89

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E957-1098 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E957-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-1098?
Check Price and Availability of E957-1098, 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 E957-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-1098
  • 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 E957-1098 available by request