E136-2464 Screening compound: N-{5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

E136-2464 Screening compound: N-{5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
E136-2464 Screening compound: N-{5-[(3,4-dimethylphenoxy)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 E136-2464
N-{5-[(3,4-dimethylphenoxy)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

E136-2464

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

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

IUPAC name

N-{5-[(34-dimethylphenoxy)methyl]-134-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide

SMILES

Cc1cc(C(C(Nc2nnc(COc3cc(C)c(C)cc3)s2)=O)=O)c(C)n1CCOC

InChI

InChI=1S/C22H26N4O4S/c1-13-6-7-17(10-14(13)2)30-12-19-24-25-22(31-19)23-21(28)20(27)18-11-15(3)26(16(18)4)8-9-29-5/h6-7,10-11H,8-9,12H2,1-5H3,(H,23,25,28)

InChI Key

KWLHWBCQFQGECH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-4.07

Polar Surface Area

78.850

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E136-2464 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E136-2464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-2464?
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What is the minimum amount of E136-2464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-2464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-2464
  • 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 E136-2464 available by request