E141-0735 Screening compound: 1-(2-methoxy-5-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

E141-0735 Screening compound: 1-(2-methoxy-5-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
E141-0735 Screening compound: 1-(2-methoxy-5-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E141-0735
1-(2-methoxy-5-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

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

E141-0735

Molecular Formula

C19H20N4O2S (C19 H20 N4 O2 S)

Compound Name

1-(2-methoxy-5-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(2-methoxy-5-methylphenyl)-5-methyl-N-[3-(methylsulfanyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc2cccc(SC)c2)=O)nnn1-c(cc(C)cc1)c1OC

InChI

InChI=1S/C19H20N4O2S/c1-12-8-9-17(25-3)16(10-12)23-13(2)18(21-22-23)19(24)20-14-6-5-7-15(11-14)26-4/h5-11H,1-4H3,(H,20,24)

InChI Key

NFKXCZDDLIBKKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-3.94

Polar Surface Area

57.502

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E141-0735 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E141-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E141-0735?
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What is the minimum amount of E141-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E141-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E141-0735
  • 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 E141-0735 available by request