E136-0896 Screening compound: 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]acetamide

E136-0896 Screening compound: 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]acetamide
E136-0896 Screening compound: 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0896
2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(pyridin-4-yl)-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

E136-0896

Molecular Formula

C18H19N5O3S (C18 H19 N5 O3 S)

Compound Name

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

IUPAC name

2-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(pyridin-4-yl)-134-thiadiazol-2-yl]acetamide

SMILES

Cc1cc(C(C(Nc2nnc(-c3ccncc3)s2)=O)=O)c(C)n1CCOC

InChI

InChI=1S/C18H19N5O3S/c1-11-10-14(12(2)23(11)8-9-26-3)15(24)16(25)20-18-22-21-17(27-18)13-4-6-19-7-5-13/h4-7,10H,8-9H2,1-3H3,(H,20,22,25)

InChI Key

AYSFSSPZAXJRNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-2.65

Polar Surface Area

80.284

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E136-0896 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)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E136-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0896?
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What is the minimum amount of E136-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0896
  • 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 E136-0896 available by request