V029-6764 Screening compound: 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole

V029-6764 Screening compound: 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
V029-6764 Screening compound: 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6764
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(4-methylphenyl)-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

V029-6764

Molecular Formula

C25H25N3OS (C25 H25 N3 OS)

Compound Name

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

IUPAC name

3-{[(25-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-124-triazole

SMILES

Cc(cc1)ccc1-n1c(SCc2c(C)ccc(C)c2)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C25H25N3OS/c1-17-6-11-22(12-7-17)28-24(20-9-13-23(29-4)14-10-20)26-27-25(28)30-16-21-15-18(2)5-8-19(21)3/h5-15H,16H2,1-4H3

InChI Key

IISKHBYOGLVPIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05548547

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.023

Distribution Coefficient, logD

7.023

Water Solubility, LogSw

-5.69

Polar Surface Area

32.256

Acid Dissociation Constant (pKa)

24.16

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V029-6764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6764?
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What is the minimum amount of V029-6764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6764
  • 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 V029-6764 available by request