E229-0022 Screening compound: 2-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline

E229-0022 Screening compound: 2-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline
E229-0022 Screening compound: 2-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E229-0022
2-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline

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

E229-0022

Molecular Formula

C26H26N4O (C26 H26 N4 O)

Compound Name

2-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(1-{pyrrolo[12-a]quinoxalin-4-yl}piperidine-4-carbonyl)-1234-tetrahydroisoquinoline

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n2c1ccc2)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C26H26N4O/c31-26(29-17-11-19-6-1-2-7-21(19)18-29)20-12-15-28(16-13-20)25-24-10-5-14-30(24)23-9-4-3-8-22(23)27-25/h1-10,14,20H,11-13,15-18H2

InChI Key

CEJCTHZWZRBKKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.701

Water Solubility, LogSw

-4.81

Polar Surface Area

27.468

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E229-0022 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • 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 E229-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E229-0022?
Check Price and Availability of E229-0022, 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 E229-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E229-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E229-0022
  • 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 E229-0022 available by request