V008-3042 Screening compound: 3-(benzylsulfanyl)-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole

V008-3042 Screening compound: 3-(benzylsulfanyl)-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole
V008-3042 Screening compound: 3-(benzylsulfanyl)-5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3042
3-(benzylsulfanyl)-5-(3,5-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

V008-3042

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

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

IUPAC name

3-(benzylsulfanyl)-5-(35-dimethoxyphenyl)-4-phenyl-4H-124-triazole

SMILES

COc1cc(-c(n2-c3ccccc3)nnc2SCc2ccccc2)cc(OC)c1

InChI

InChI=1S/C23H21N3O2S/c1-27-20-13-18(14-21(15-20)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

KFMHKLUXQRZOPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843493

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

4.958

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.74

Polar Surface Area

39.800

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V008-3042 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with V008-3042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3042?
Check Price and Availability of V008-3042, 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 V008-3042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3042
  • 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 V008-3042 available by request