E229-0114 Screening compound: N-(3-phenylpropyl)-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide

E229-0114 Screening compound: N-(3-phenylpropyl)-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide
E229-0114 Screening compound: N-(3-phenylpropyl)-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E229-0114
N-(3-phenylpropyl)-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide

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

E229-0114

Molecular Formula

C26H28N4O (C26 H28 N4 O)

Compound Name

N-(3-phenylpropyl)-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide

IUPAC name

N-(3-phenylpropyl)-1-{pyrrolo[12-a]quinoxalin-4-yl}piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n2c1ccc2)NCCCc1ccccc1

InChI

InChI=1S/C26H28N4O/c31-26(27-16-6-10-20-8-2-1-3-9-20)21-14-18-29(19-15-21)25-24-13-7-17-30(24)23-12-5-4-11-22(23)28-25/h1-5,7-9,11-13,17,21H,6,10,14-16,18-19H2,(H,27,31)

InChI Key

LAWRDXUXRLCKGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

5.088

Water Solubility, LogSw

-5.27

Polar Surface Area

35.413

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

13.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

E229-0114 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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 E229-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E229-0114?
Check Price and Availability of E229-0114, 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 E229-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E229-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E229-0114
  • 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 E229-0114 available by request