E136-1662 Screening compound: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

E136-1662 Screening compound: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
E136-1662 Screening compound: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-1662
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-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

E136-1662

Molecular Formula

C20H21FN4O3S (C20 H21 FN4 O3 S)

Compound Name

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

IUPAC name

N-[5-(2-ethoxyethyl)-134-thiadiazol-2-yl]-2-[1-(4-fluorophenyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

SMILES

CCOCCc1nnc(NC(C(c(cc2C)c(C)n2-c(cc2)ccc2F)=O)=O)s1

InChI

InChI=1S/C20H21FN4O3S/c1-4-28-10-9-17-23-24-20(29-17)22-19(27)18(26)16-11-12(2)25(13(16)3)15-7-5-14(21)6-8-15/h5-8,11H,4,9-10H2,1-3H3,(H,22,24,27)

InChI Key

YNCMBYQKAPHQGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

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

3.460

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-3.79

Polar Surface Area

71.751

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E136-1662 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 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
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E136-1662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-1662?
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What is the minimum amount of E136-1662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-1662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-1662
  • 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 E136-1662 available by request