E229-0237 Screening compound: 1-{pyrrolo[1,2-a]quinoxalin-4-yl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]piperidine-4-carboxamide

E229-0237 Screening compound: 1-{pyrrolo[1,2-a]quinoxalin-4-yl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]piperidine-4-carboxamide
E229-0237 Screening compound: 1-{pyrrolo[1,2-a]quinoxalin-4-yl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E229-0237
1-{pyrrolo[1,2-a]quinoxalin-4-yl}-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]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

E229-0237

Molecular Formula

C29H33N5O (C29 H33 N5 O)

Compound Name

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

IUPAC name

1-{pyrrolo[12-a]quinoxalin-4-yl}-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]piperidine-4-carboxamide

SMILES

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

InChI

InChI=1S/C29H33N5O/c35-29(30-15-6-16-32-18-12-22-7-1-2-8-24(22)21-32)23-13-19-33(20-14-23)28-27-11-5-17-34(27)26-10-4-3-9-25(26)31-28/h1-5,7-11,17,23H,6,12-16,18-21H2,(H,30,35)

InChI Key

MGOZMKOVPRZFEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-4.25

Polar Surface Area

39.057

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

E229-0237 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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 E229-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E229-0237?
Check Price and Availability of E229-0237, 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 E229-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E229-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E229-0237
  • 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 E229-0237 available by request