E136-1433 Screening compound: 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N~1~-{5-[(E)-2-phenyl-1-ethenyl]-1,3,4-thiadiazol-2-yl}acetamide

E136-1433 Screening compound: 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N~1~-{5-[(E)-2-phenyl-1-ethenyl]-1,3,4-thiadiazol-2-yl}acetamide
E136-1433 Screening compound: 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N~1~-{5-[(E)-2-phenyl-1-ethenyl]-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-1433
2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N~1~-{5-[(E)-2-phenyl-1-ethenyl]-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

E136-1433

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N~1~-{5-[(E)-2-phenyl-1-ethenyl]-1,3,4-thiadiazol-2-yl}acetamide

IUPAC name

n/a

SMILES

Cc1cc(C(C(Nc2nnc(/C=C/c3ccccc3)s2)=O)=O)c(C)n1CCOC

InChI

InChI=1S/C21H22N4O3S/c1-14-13-17(15(2)25(14)11-12-28-3)19(26)20(27)22-21-24-23-18(29-21)10-9-16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3,(H,22,24,27)

InChI Key

GNTYNBIBMMURFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

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

3.519

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.85

Polar Surface Area

71.351

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E136-1433 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E136-1433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-1433?
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What is the minimum amount of E136-1433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-1433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-1433
  • 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 E136-1433 available by request