V010-5964 Screening compound: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole

V010-5964 Screening compound: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
V010-5964 Screening compound: 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5964
3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(2-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

V010-5964

Molecular Formula

C23H21N3OS (C23 H21 N3 OS)

Compound Name

3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-124-triazole

SMILES

Cc(cccc1)c1-n1c(SCc2ccccc2)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C23H21N3OS/c1-17-8-6-7-11-21(17)26-22(19-12-14-20(27-2)15-13-19)24-25-23(26)28-16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3

InChI Key

ZAUANEDMHBNEDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03606759

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

387.51

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

5.454

Distribution Coefficient, logD

5.453

Water Solubility, LogSw

-5.49

Polar Surface Area

31.955

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with V010-5964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5964?
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What is the minimum amount of V010-5964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5964
  • 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 V010-5964 available by request