E136-3252 Screening compound: N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

E136-3252 Screening compound: N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
E136-3252 Screening compound: N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-3252
N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-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

E136-3252

Molecular Formula

C21H23FN4O3S2 (C21 H23 FN4 O3 S2)

Compound Name

N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

IUPAC name

N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-134-thiadiazol-2-yl]-2-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

SMILES

Cc1cc(C(C(Nc2nnc(CSCc(cc3)ccc3F)s2)=O)=O)c(C)n1CCOC

InChI

InChI=1S/C21H23FN4O3S2/c1-13-10-17(14(2)26(13)8-9-29-3)19(27)20(28)23-21-25-24-18(31-21)12-30-11-15-4-6-16(22)7-5-15/h4-7,10H,8-9,11-12H2,1-3H3,(H,23,25,28)

InChI Key

IZELBVDIHWWCAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.89

Polar Surface Area

71.351

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E136-3252 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E136-3252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-3252?
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What is the minimum amount of E136-3252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-3252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-3252
  • 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 E136-3252 available by request