E229-0085 Screening compound: N-(4-chlorophenyl)-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide

E229-0085 Screening compound: N-(4-chlorophenyl)-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide
E229-0085 Screening compound: N-(4-chlorophenyl)-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E229-0085
N-(4-chlorophenyl)-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

E229-0085

Molecular Formula

C23H21ClN4O (C23 H21 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n2c1ccc2)Nc(cc1)ccc1Cl

InChI

InChI=1S/C23H21ClN4O/c24-17-7-9-18(10-8-17)25-23(29)16-11-14-27(15-12-16)22-21-6-3-13-28(21)20-5-2-1-4-19(20)26-22/h1-10,13,16H,11-12,14-15H2,(H,25,29)

InChI Key

FIQXJXZJNKEYRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.019

Distribution Coefficient, logD

4.861

Water Solubility, LogSw

-5.17

Polar Surface Area

34.249

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

13.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E229-0085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Human Receptors Annotated Library (5376 compounds)

Purinergic Library (3321 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E229-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E229-0085?
Check Price and Availability of E229-0085, 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 E229-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E229-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E229-0085
  • 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 E229-0085 available by request