E158-0082 Screening compound: 1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-4-phenylpiperazine

E158-0082 Screening compound: 1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-4-phenylpiperazine
E158-0082 Screening compound: 1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E158-0082
1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-4-phenylpiperazine

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

E158-0082

Molecular Formula

C22H22FN3O (C22 H22 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc([nH]c(-c(cc1)ccc1F)c1)c1C(N(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C22H22FN3O/c1-16-20(15-21(24-16)17-7-9-18(23)10-8-17)22(27)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,15,24H,11-14H2,1H3

InChI Key

KQWSWLAPCOCONF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.43

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

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.17

Polar Surface Area

30.086

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E158-0082 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E158-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E158-0082?
Check Price and Availability of E158-0082, 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 E158-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E158-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E158-0082
  • 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 E158-0082 available by request