E136-0255 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-(1,3,4-thiadiazol-2-yl)acetamide

E136-0255 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-(1,3,4-thiadiazol-2-yl)acetamide
E136-0255 Screening compound: 2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-(1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0255
2-[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-(1,3,4-thiadiazol-2-yl)acetamide

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

E136-0255

Molecular Formula

C18H18N4O2S (C18 H18 N4 O2 S)

Compound Name

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

IUPAC name

2-[1-(24-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-(134-thiadiazol-2-yl)acetamide

SMILES

Cc1cc(C(C(Nc2nncs2)=O)=O)c(C)n1-c1c(C)cc(C)cc1

InChI

InChI=1S/C18H18N4O2S/c1-10-5-6-15(11(2)7-10)22-12(3)8-14(13(22)4)16(23)17(24)20-18-21-19-9-25-18/h5-9H,1-4H3,(H,20,21,24)

InChI Key

FHDMQRYWBKINFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.91

Polar Surface Area

63.008

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E136-0255 in Drug Discovery

Included in Screening Libraries

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)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E136-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0255?
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What is the minimum amount of E136-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0255
  • 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 E136-0255 available by request