E136-1962 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide

E136-1962 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
E136-1962 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-1962
2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-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

E136-1962

Molecular Formula

C22H26N4O3S (C22 H26 N4 O3 S)

Compound Name

2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide

IUPAC name

2-[1-(24-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]-N-[5-(2-ethoxyethyl)-134-thiadiazol-2-yl]-2-oxoacetamide

SMILES

CCOCCc1nnc(NC(C(c(cc2C)c(C)n2-c2c(C)cc(C)cc2)=O)=O)s1

InChI

InChI=1S/C22H26N4O3S/c1-6-29-10-9-19-24-25-22(30-19)23-21(28)20(27)17-12-15(4)26(16(17)5)18-8-7-13(2)11-14(18)3/h7-8,11-12H,6,9-10H2,1-5H3,(H,23,25,28)

InChI Key

YHFJVDJBPTTYEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-4.26

Polar Surface Area

71.450

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E136-1962 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E136-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-1962?
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What is the minimum amount of E136-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-1962
  • 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 E136-1962 available by request