V006-8573 Screening compound: 3-benzyl-4-(2-methoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V006-8573 Screening compound: 3-benzyl-4-(2-methoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V006-8573 Screening compound: 3-benzyl-4-(2-methoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8573
3-benzyl-4-(2-methoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-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

V006-8573

Molecular Formula

C24H23N3O2S (C24 H23 N3 O2 S)

Compound Name

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

IUPAC name

3-benzyl-4-(2-methoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

COc1cccc(CSc2nnc(Cc3ccccc3)n2-c(cccc2)c2OC)c1

InChI

InChI=1S/C24H23N3O2S/c1-28-20-12-8-11-19(15-20)17-30-24-26-25-23(16-18-9-4-3-5-10-18)27(24)21-13-6-7-14-22(21)29-2/h3-15H,16-17H2,1-2H3

InChI Key

QZEALULROBOZDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772346

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-4.70

Polar Surface Area

40.562

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V006-8573 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V006-8573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8573?
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What is the minimum amount of V006-8573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8573
  • 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 V006-8573 available by request