E136-0296 Screening compound: 2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoacetamide

E136-0296 Screening compound: 2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
E136-0296 Screening compound: 2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0296
2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(5-methyl-1,3-thiazol-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

E136-0296

Molecular Formula

C18H16FN3O2S (C18 H16 FN3 O2 S)

Compound Name

2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoacetamide

IUPAC name

2-[1-(4-fluorophenyl)-25-dimethyl-1H-pyrrol-3-yl]-N-(5-methyl-13-thiazol-2-yl)-2-oxoacetamide

SMILES

Cc1cc(C(C(Nc2ncc(C)s2)=O)=O)c(C)n1-c(cc1)ccc1F

InChI

InChI=1S/C18H16FN3O2S/c1-10-8-15(12(3)22(10)14-6-4-13(19)5-7-14)16(23)17(24)21-18-20-9-11(2)25-18/h4-9H,1-3H3,(H,20,21,24)

InChI Key

LXYSFFNGYOPWJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-4.04

Polar Surface Area

50.301

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E136-0296 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E136-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0296?
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What is the minimum amount of E136-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0296
  • 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 E136-0296 available by request