V006-8541 Screening compound: 3-(ethylsulfanyl)-5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

V006-8541 Screening compound: 3-(ethylsulfanyl)-5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
V006-8541 Screening compound: 3-(ethylsulfanyl)-5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8541
3-(ethylsulfanyl)-5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

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

V006-8541

Molecular Formula

C18H19N3OS (C18 H19 N3 OS)

Compound Name

3-(ethylsulfanyl)-5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

IUPAC name

3-(ethylsulfanyl)-5-(3-methoxyphenyl)-4-(4-methylphenyl)-4H-124-triazole

SMILES

CCSc1nnc(-c2cc(OC)ccc2)n1-c1ccc(C)cc1

InChI

InChI=1S/C18H19N3OS/c1-4-23-18-20-19-17(14-6-5-7-16(12-14)22-3)21(18)15-10-8-13(2)9-11-15/h5-12H,4H2,1-3H3

InChI Key

CUCBCYKFIWFQRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04864615

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-4.66

Polar Surface Area

32.528

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V006-8541 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V006-8541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8541?
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What is the minimum amount of V006-8541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8541
  • 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 V006-8541 available by request