V002-6902 Screening compound: 3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole

V002-6902 Screening compound: 3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
V002-6902 Screening compound: 3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6902
3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-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

V002-6902

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

3-(benzylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-5-(34-dimethoxyphenyl)-4-phenyl-4H-124-triazole

SMILES

COc(ccc(-c(n1-c2ccccc2)nnc1SCc1ccccc1)c1)c1OC

InChI

InChI=1S/C23H21N3O2S/c1-27-20-14-13-18(15-21(20)28-2)22-24-25-23(26(22)19-11-7-4-8-12-19)29-16-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3

InChI Key

JHBCORFVLFAFNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02585877

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.52

Polar Surface Area

39.973

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V002-6902 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V002-6902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6902?
Check Price and Availability of V002-6902, 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 V002-6902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6902
  • 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 V002-6902 available by request