E158-0131 Screening compound: 4-benzyl-1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine

E158-0131 Screening compound: 4-benzyl-1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine
E158-0131 Screening compound: 4-benzyl-1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E158-0131
4-benzyl-1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine

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

E158-0131

Molecular Formula

C24H25FN2O (C24 H25 FN2 O)

Compound Name

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

IUPAC name

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

SMILES

Cc([nH]c(-c(cc1)ccc1F)c1)c1C(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C24H25FN2O/c1-17-22(16-23(26-17)20-7-9-21(25)10-8-20)24(28)27-13-11-19(12-14-27)15-18-5-3-2-4-6-18/h2-10,16,19,26H,11-15H2,1H3

InChI Key

OTOYKZDZMXMIDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.448

Water Solubility, LogSw

-5.58

Polar Surface Area

26.555

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E158-0131 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E158-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E158-0131?
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What is the minimum amount of E158-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E158-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E158-0131
  • 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 E158-0131 available by request