E158-0075 Screening compound: 1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-4-(3-methoxyphenyl)piperazine

E158-0075 Screening compound: 1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-4-(3-methoxyphenyl)piperazine
E158-0075 Screening compound: 1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-4-(3-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E158-0075
1-[5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonyl]-4-(3-methoxyphenyl)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

E158-0075

Molecular Formula

C23H24FN3O2 (C23 H24 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc([nH]c(-c(cc1)ccc1F)c1)c1C(N(CC1)CCN1c1cc(OC)ccc1)=O

InChI

InChI=1S/C23H24FN3O2/c1-16-21(15-22(25-16)17-6-8-18(24)9-7-17)23(28)27-12-10-26(11-13-27)19-4-3-5-20(14-19)29-2/h3-9,14-15,25H,10-13H2,1-2H3

InChI Key

ACOCVPBXFYMYNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.26

Polar Surface Area

37.630

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E158-0075 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E158-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E158-0075?
Check Price and Availability of E158-0075, 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 E158-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E158-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E158-0075
  • 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 E158-0075 available by request