D432-0016 Screening compound: 2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol

D432-0016 Screening compound: 2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
D432-0016 Screening compound: 2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D432-0016
2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol

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

D432-0016

Molecular Formula

C20H23N3OS2 (C20 H23 N3 OS2)

Compound Name

2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol

IUPAC name

2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-124-triazol-3-yl}sulfanyl)ethan-1-ol

SMILES

OCCSc1nnc(CCSCc2ccccc2)n1Cc1ccccc1

InChI

InChI=1S/C20H23N3OS2/c24-12-14-26-20-22-21-19(23(20)15-17-7-3-1-4-8-17)11-13-25-16-18-9-5-2-6-10-18/h1-10,24H,11-16H2

InChI Key

GEOZYXHYVKIDBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-3.25

Polar Surface Area

41.873

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D432-0016 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D432-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D432-0016?
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What is the minimum amount of D432-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D432-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D432-0016
  • 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 D432-0016 available by request