E158-0192 Screening compound: 4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-2-methyl-1-(4-methylphenyl)piperazine

E158-0192 Screening compound: 4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-2-methyl-1-(4-methylphenyl)piperazine
E158-0192 Screening compound: 4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-2-methyl-1-(4-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E158-0192
4-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-2-methyl-1-(4-methylphenyl)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

E158-0192

Molecular Formula

C24H26FN3O (C24 H26 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(CC1)C(c2c(C)[nH]c(-c(cc3)ccc3F)c2)=O)N1c1ccc(C)cc1

InChI

InChI=1S/C24H26FN3O/c1-16-4-10-21(11-5-16)28-13-12-27(15-17(28)2)24(29)22-14-23(26-18(22)3)19-6-8-20(25)9-7-19/h4-11,14,17,26H,12-13,15H2,1-3H3/t17-/m0/s1

InChI Key

IEHLRTBHXCNHRR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14844470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

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

4.850

Distribution Coefficient, logD

4.850

Water Solubility, LogSw

-4.53

Polar Surface Area

29.305

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

E158-0192 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E158-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E158-0192?
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What is the minimum amount of E158-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E158-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E158-0192
  • 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 E158-0192 available by request