E136-0168 Screening compound: 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N-(2-ethylphenyl)-2-oxoacetamide

E136-0168 Screening compound: 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N-(2-ethylphenyl)-2-oxoacetamide
E136-0168 Screening compound: 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N-(2-ethylphenyl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0168
2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N-(2-ethylphenyl)-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

E136-0168

Molecular Formula

C22H22N2O2 (C22 H22 N2 O2)

Compound Name

2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N-(2-ethylphenyl)-2-oxoacetamide

IUPAC name

2-(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N-(2-ethylphenyl)-2-oxoacetamide

SMILES

CCc(cccc1)c1NC(C(c(cc1C)c(C)n1-c1ccccc1)=O)=O

InChI

InChI=1S/C22H22N2O2/c1-4-17-10-8-9-13-20(17)23-22(26)21(25)19-14-15(2)24(16(19)3)18-11-6-5-7-12-18/h5-14H,4H2,1-3H3,(H,23,26)

InChI Key

GBYCLBSROAQTOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

4.412

Water Solubility, LogSw

-4.24

Polar Surface Area

39.035

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E136-0168 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E136-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0168?
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What is the minimum amount of E136-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0168
  • 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 E136-0168 available by request