V006-1988 Screening compound: 3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

V006-1988 Screening compound: 3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
V006-1988 Screening compound: 3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1988
3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-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

V006-1988

Molecular Formula

C23H21N3OS (C23 H21 N3 OS)

Compound Name

3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

IUPAC name

3-benzyl-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-124-triazole

SMILES

COc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1

InChI

InChI=1S/C23H21N3OS/c1-27-21-14-12-19(13-15-21)17-28-23-25-24-22(16-18-8-4-2-5-9-18)26(23)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3

InChI Key

QIEAYEJKXRQTJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04036752

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

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.54

Polar Surface Area

33.232

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V006-1988 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-1988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1988?
Check Price and Availability of V006-1988, 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 V006-1988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1988
  • 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 V006-1988 available by request