E002-2303 Screening compound: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-cyclopentylacetamide

E002-2303 Screening compound: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-cyclopentylacetamide
E002-2303 Screening compound: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2303
N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-cyclopentylacetamide

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

E002-2303

Molecular Formula

C27H31N3O3 (C27 H31 N3 O3)

Compound Name

N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-cyclopentylacetamide

IUPAC name

N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-cyclopentylacetamide

SMILES

O=C(CC1CCCC1)Nc1c(C(N2CCN(Cc3ccccc3)CC2)=O)oc2c1cccc2

InChI

InChI=1S/C27H31N3O3/c31-24(18-20-8-4-5-9-20)28-25-22-12-6-7-13-23(22)33-26(25)27(32)30-16-14-29(15-17-30)19-21-10-2-1-3-11-21/h1-3,6-7,10-13,20H,4-5,8-9,14-19H2,(H,28,31)

InChI Key

NLRNANRCDPPBBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.24

Polar Surface Area

50.993

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

E002-2303 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E002-2303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2303?
Check Price and Availability of E002-2303, 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 E002-2303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2303
  • 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 E002-2303 available by request