V003-0106 Screening compound: 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one

V003-0106 Screening compound: 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one
V003-0106 Screening compound: 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0106
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one

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

V003-0106

Molecular Formula

C24H20ClN3O2S (C24 H20 ClN3 O2 S)

Compound Name

2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one

IUPAC name

2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-1-(3-methoxyphenyl)ethan-1-one

SMILES

Cc(cccc1)c1-n1c(SCC(c2cc(OC)ccc2)=O)nnc1-c(cccc1)c1Cl

InChI

InChI=1S/C24H20ClN3O2S/c1-16-8-3-6-13-21(16)28-23(19-11-4-5-12-20(19)25)26-27-24(28)31-15-22(29)17-9-7-10-18(14-17)30-2/h3-14H,15H2,1-2H3

InChI Key

VNQINLHDRZCFQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844428

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.803

Distribution Coefficient, logD

5.803

Water Solubility, LogSw

-5.78

Polar Surface Area

45.202

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V003-0106 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Proline Kinase Library (2105 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Nervous system
Agro:
  • Agro
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with V003-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0106?
Check Price and Availability of V003-0106, 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 V003-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0106
  • 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 V003-0106 available by request