V011-0541 Screening compound: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

V011-0541 Screening compound: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
V011-0541 Screening compound: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0541
3-(benzylsulfanyl)-5-(4-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

V011-0541

Molecular Formula

C23H21N3OS (C23 H21 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCc2ccccc2)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C23H21N3OS/c1-17-8-12-20(13-9-17)26-22(19-10-14-21(27-2)15-11-19)24-25-23(26)28-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3

InChI Key

GQYQVBJVQZOPGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843971

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

387.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.518

Distribution Coefficient, logD

5.518

Water Solubility, LogSw

-5.61

Polar Surface Area

32.256

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V011-0541 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V011-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0541?
Check Price and Availability of V011-0541, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V011-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0541
  • 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 V011-0541 available by request