E957-1757 Screening compound: N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide

E957-1757 Screening compound: N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide
E957-1757 Screening compound: N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-1757
N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide

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

E957-1757

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc1c(C(N2CCN(C)CC2)=O)oc2c1cccc2)=O

InChI

InChI=1S/C17H21N3O3/c1-3-14(21)18-15-12-6-4-5-7-13(12)23-16(15)17(22)20-10-8-19(2)9-11-20/h4-7H,3,8-11H2,1-2H3,(H,18,21)

InChI Key

XZXZFXQXUNKRKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

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

1.326

Distribution Coefficient, logD

1.176

Water Solubility, LogSw

-2.24

Polar Surface Area

50.643

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E957-1757 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E957-1757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-1757?
Check Price and Availability of E957-1757, 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 E957-1757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-1757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-1757
  • 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 E957-1757 available by request