E229-0048 Screening compound: 1-(2-fluorophenyl)-4-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)piperazine

E229-0048 Screening compound: 1-(2-fluorophenyl)-4-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)piperazine
E229-0048 Screening compound: 1-(2-fluorophenyl)-4-(1-{pyrrolo[1,2-a]quinoxalin-4-yl}piperidine-4-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E229-0048
1-(2-fluorophenyl)-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

E229-0048

Molecular Formula

C27H28FN5O (C27 H28 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n2c1ccc2)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C27H28FN5O/c28-21-6-1-3-8-23(21)30-16-18-32(19-17-30)27(34)20-11-14-31(15-12-20)26-25-10-5-13-33(25)24-9-4-2-7-22(24)29-26/h1-10,13,20H,11-12,14-19H2

InChI Key

SKQRJQPGRZIHIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

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

4.840

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.82

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

33.30

E229-0048 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune 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 E229-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E229-0048?
Check Price and Availability of E229-0048, 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 E229-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E229-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E229-0048
  • 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 E229-0048 available by request