E136-0139 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide

E136-0139 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide
E136-0139 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0139
2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide

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

E136-0139

Molecular Formula

C22H22N2O2 (C22 H22 N2 O2)

Compound Name

2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide

IUPAC name

2-[1-(24-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide

SMILES

Cc1cc(C(C(Nc2ccccc2)=O)=O)c(C)n1-c1c(C)cc(C)cc1

InChI

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

InChI Key

VEJCYMWWWOARLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841133

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.718

Distribution Coefficient, logD

4.718

Water Solubility, LogSw

-4.50

Polar Surface Area

39.432

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E136-0139 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

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 E136-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0139?
Check Price and Availability of E136-0139, 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 E136-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0139
  • 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 E136-0139 available by request