E136-0258 Screening compound: 2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-(1,3,4-thiadiazol-2-yl)acetamide

E136-0258 Screening compound: 2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-(1,3,4-thiadiazol-2-yl)acetamide
E136-0258 Screening compound: 2-[1-(3,4-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 E136-0258
2-[1-(3,4-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

E136-0258

Molecular Formula

C18H18N4O2S (C18 H18 N4 O2 S)

Compound Name

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

IUPAC name

2-[1-(34-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-c1cc(C)c(C)cc1

InChI

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

InChI Key

IGNRYJQTOUJWQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841161

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

3.541

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-3.86

Polar Surface Area

63.309

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E136-0258 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
  • 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 E136-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0258?
Check Price and Availability of E136-0258, 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 E136-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0258
  • 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 E136-0258 available by request