E229-0052 Screening compound: N-[(3-chlorophenyl)methyl]-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide

E229-0052 Screening compound: N-[(3-chlorophenyl)methyl]-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide
E229-0052 Screening compound: N-[(3-chlorophenyl)methyl]-1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E229-0052
N-[(3-chlorophenyl)methyl]-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

E229-0052

Molecular Formula

C24H23ClN4O (C24 H23 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n2c1ccc2)NCc1cccc(Cl)c1

InChI

InChI=1S/C24H23ClN4O/c25-19-6-3-5-17(15-19)16-26-24(30)18-10-13-28(14-11-18)23-22-9-4-12-29(22)21-8-2-1-7-20(21)27-23/h1-9,12,15,18H,10-11,13-14,16H2,(H,26,30)

InChI Key

VHKQIUXVVBUMSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.811

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.89

Polar Surface Area

35.572

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

13.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E229-0052 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E229-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E229-0052?
Check Price and Availability of E229-0052, 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 E229-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E229-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E229-0052
  • 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 E229-0052 available by request