E957-2044 Screening compound: 3-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

E957-2044 Screening compound: 3-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
E957-2044 Screening compound: 3-methyl-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-2044
3-methyl-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

E957-2044

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(Nc2c(C(N3CCN(C)CC3)=O)oc3c2cccc3)=O)c1

InChI

InChI=1S/C22H23N3O3/c1-15-6-5-7-16(14-15)21(26)23-19-17-8-3-4-9-18(17)28-20(19)22(27)25-12-10-24(2)11-13-25/h3-9,14H,10-13H2,1-2H3,(H,23,26)

InChI Key

NPPPYIURFSUXTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.682

Distribution Coefficient, logD

1.851

Water Solubility, LogSw

-3.14

Polar Surface Area

50.585

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E957-2044 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E957-2044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-2044?
Check Price and Availability of E957-2044, 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 E957-2044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-2044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-2044
  • 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 E957-2044 available by request