V002-8764 Screening compound: 2-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl methyl ether

V002-8764 Screening compound: 2-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl methyl ether
V002-8764 Screening compound: 2-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8764
2-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl methyl ether

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

V002-8764

Molecular Formula

C24H23N3OS (C24 H23 N3 OS)

Compound Name

2-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl methyl ether

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCc(cccc2)c2OC)nnc1Cc1ccccc1

InChI

InChI=1S/C24H23N3OS/c1-18-12-14-21(15-13-18)27-23(16-19-8-4-3-5-9-19)25-26-24(27)29-17-20-10-6-7-11-22(20)28-2/h3-15H,16-17H2,1-2H3

InChI Key

AKTHBMDZYUPVHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844049

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.53

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

5.550

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-5.59

Polar Surface Area

33.319

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V002-8764 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 V002-8764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8764?
Check Price and Availability of V002-8764, 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 V002-8764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8764
  • 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 V002-8764 available by request