D423-0050 Screening compound: 4-[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol

D423-0050 Screening compound: 4-[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol
D423-0050 Screening compound: 4-[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D423-0050
4-[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol

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

D423-0050

Molecular Formula

C18H19N3OS (C18 H19 N3 OS)

Compound Name

4-[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol

IUPAC name

4-[5-(butylsulfanyl)-4-phenyl-4H-124-triazol-3-yl]phenol

SMILES

CCCCSc1nnc(-c(cc2)ccc2O)n1-c1ccccc1

InChI

InChI=1S/C18H19N3OS/c1-2-3-13-23-18-20-19-17(14-9-11-16(22)12-10-14)21(18)15-7-5-4-6-8-15/h4-12,22H,2-3,13H2,1H3

InChI Key

VEENTIUTBLSYCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.582

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.31

Polar Surface Area

42.601

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D423-0050 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D423-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D423-0050?
Check Price and Availability of D423-0050, 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 D423-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D423-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D423-0050
  • 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 D423-0050 available by request