E957-0175 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide

E957-0175 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide
E957-0175 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0175
N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide

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

E957-0175

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide

IUPAC name

N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide

SMILES

CCN(CC1)CCN1C(c(oc1c2cccc1)c2NC(C1CCCC1)=O)=O

InChI

InChI=1S/C21H27N3O3/c1-2-23-11-13-24(14-12-23)21(26)19-18(16-9-5-6-10-17(16)27-19)22-20(25)15-7-3-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,22,25)

InChI Key

PFDLKAZNSONUCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-2.88

Polar Surface Area

51.203

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E957-0175 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E957-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0175?
Check Price and Availability of E957-0175, 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 E957-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0175
  • 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 E957-0175 available by request