E158-0123 Screening compound: [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl][4-phenyl-3,6-dihydro-1(2H)-pyridinyl]methanone

E158-0123 Screening compound: [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl][4-phenyl-3,6-dihydro-1(2H)-pyridinyl]methanone
E158-0123 Screening compound: [5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl][4-phenyl-3,6-dihydro-1(2H)-pyridinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E158-0123
[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl][4-phenyl-3,6-dihydro-1(2H)-pyridinyl]methanone

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

E158-0123

Molecular Formula

C23H21FN2O (C23 H21 FN2 O)

Compound Name

[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl][4-phenyl-3,6-dihydro-1(2H)-pyridinyl]methanone

IUPAC name

n/a

SMILES

Cc([nH]c(-c(cc1)ccc1F)c1)c1C(N(CC1)CC=C1c1ccccc1)=O

InChI

InChI=1S/C23H21FN2O/c1-16-21(15-22(25-16)19-7-9-20(24)10-8-19)23(27)26-13-11-18(12-14-26)17-5-3-2-4-6-17/h2-11,15,25H,12-14H2,1H3

InChI Key

MZTREPCWMBIJOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

5.013

Water Solubility, LogSw

-4.59

Polar Surface Area

26.555

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E158-0123 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E158-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E158-0123?
Check Price and Availability of E158-0123, 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 E158-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E158-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E158-0123
  • 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 E158-0123 available by request