E158-0044 Screening compound: 1-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine

E158-0044 Screening compound: 1-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine
E158-0044 Screening compound: 1-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E158-0044
1-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-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

E158-0044

Molecular Formula

C22H21ClFN3O (C22 H21 ClFN3 O)

Compound Name

1-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine

IUPAC name

1-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperazine

SMILES

Cc([nH]c(-c(cc1)ccc1F)c1)c1C(N(CC1)CCN1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H21ClFN3O/c1-15-20(14-21(25-15)16-2-6-18(24)7-3-16)22(28)27-12-10-26(11-13-27)19-8-4-17(23)5-9-19/h2-9,14,25H,10-13H2,1H3

InChI Key

OLIHRMIPWOTTDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.88

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.829

Distribution Coefficient, logD

4.829

Water Solubility, LogSw

-4.87

Polar Surface Area

30.086

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E158-0044 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 E158-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E158-0044?
Check Price and Availability of E158-0044, 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 E158-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E158-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E158-0044
  • 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 E158-0044 available by request