8009-0425 Screening compound: 3-[(3,4-dimethylphenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

8009-0425 Screening compound: 3-[(3,4-dimethylphenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
8009-0425 Screening compound: 3-[(3,4-dimethylphenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0425
3-[(3,4-dimethylphenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]sulfanyl}-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

8009-0425

Molecular Formula

C25H25N3O2S (C25 H25 N3 O2 S)

Compound Name

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

IUPAC name

3-[(34-dimethylphenoxy)methyl]-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-124-triazole

SMILES

Cc(cc1)c(C)cc1OCc(n1-c2ccccc2)nnc1SCc(cc1)ccc1OC

InChI

InChI=1S/C25H25N3O2S/c1-18-9-12-23(15-19(18)2)30-16-24-26-27-25(28(24)21-7-5-4-6-8-21)31-17-20-10-13-22(29-3)14-11-20/h4-15H,16-17H2,1-3H3

InChI Key

JOINTTHDTAORAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

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

5.427

Distribution Coefficient, logD

5.427

Water Solubility, LogSw

-5.43

Polar Surface Area

40.732

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8009-0425 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 8009-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0425?
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What is the minimum amount of 8009-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0425
  • 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 8009-0425 available by request