E141-1064 Screening compound: N-(3-chloro-4-fluorophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

E141-1064 Screening compound: N-(3-chloro-4-fluorophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
E141-1064 Screening compound: N-(3-chloro-4-fluorophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E141-1064
N-(3-chloro-4-fluorophenyl)-5-methyl-1-[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

E141-1064

Molecular Formula

C17H14ClFN4OS (C17 H14 ClFN4 OS)

Compound Name

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

IUPAC name

N-(3-chloro-4-fluorophenyl)-5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc(Cl)c2F)=O)nnn1-c1cc(SC)ccc1

InChI

InChI=1S/C17H14ClFN4OS/c1-10-16(17(24)20-11-6-7-15(19)14(18)8-11)21-22-23(10)12-4-3-5-13(9-12)25-2/h3-9H,1-2H3,(H,20,24)

InChI Key

BZRSFLGXTCFFLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

3.784

Water Solubility, LogSw

-4.38

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E141-1064 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E141-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E141-1064?
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What is the minimum amount of E141-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E141-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E141-1064
  • 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 E141-1064 available by request