E136-0748 Screening compound: N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

E136-0748 Screening compound: N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
E136-0748 Screening compound: N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0748
N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

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

E136-0748

Molecular Formula

C22H21FN2O3 (C22 H21 FN2 O3)

Compound Name

N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

IUPAC name

N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

SMILES

CCOc(cccc1)c1NC(C(c(cc1C)c(C)n1-c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H21FN2O3/c1-4-28-20-8-6-5-7-19(20)24-22(27)21(26)18-13-14(2)25(15(18)3)17-11-9-16(23)10-12-17/h5-13H,4H2,1-3H3,(H,24,27)

InChI Key

AEEOIOSJFZVOLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.24

Polar Surface Area

46.245

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E136-0748 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E136-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0748?
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What is the minimum amount of E136-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0748
  • 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 E136-0748 available by request