E136-0142 Screening compound: 2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide

E136-0142 Screening compound: 2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide
E136-0142 Screening compound: 2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0142
2-[1-(3,4-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

E136-0142

Molecular Formula

C22H22N2O2 (C22 H22 N2 O2)

Compound Name

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

IUPAC name

2-[1-(34-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-phenylacetamide

SMILES

Cc1cc(C(C(Nc2ccccc2)=O)=O)c(C)n1-c1cc(C)c(C)cc1

InChI

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

InChI Key

WLTRZDZFNGELGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841134

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

4.746

Distribution Coefficient, logD

4.746

Water Solubility, LogSw

-4.50

Polar Surface Area

39.733

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E136-0142 in Drug Discovery

Included in Screening Libraries

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 E136-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0142?
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What is the minimum amount of E136-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0142
  • 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 E136-0142 available by request