E229-0021 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)piperazine

E229-0021 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)piperazine
E229-0021 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E229-0021
1-(5-chloro-2-methylphenyl)-4-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)piperazine

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

E229-0021

Molecular Formula

C28H30ClN5O (C28 H30 ClN5 O)

Compound Name

1-(5-chloro-2-methylphenyl)-4-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-(1-{pyrrolo[12-a]quinoxalin-4-yl}piperidine-4-carbonyl)piperazine

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(C(CC1)CCN1c1nc(cccc2)c2n2c1ccc2)=O

InChI

InChI=1S/C28H30ClN5O/c1-20-8-9-22(29)19-26(20)31-15-17-33(18-16-31)28(35)21-10-13-32(14-11-21)27-25-7-4-12-34(25)24-6-3-2-5-23(24)30-27/h2-9,12,19,21H,10-11,13-18H2,1H3

InChI Key

MFBZBTMVEZHHJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.944

Distribution Coefficient, logD

5.737

Water Solubility, LogSw

-6.00

Polar Surface Area

30.766

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

E229-0021 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with E229-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E229-0021?
Check Price and Availability of E229-0021, 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 E229-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E229-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E229-0021
  • 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 E229-0021 available by request