6425-0014 Screening compound: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol

6425-0014 Screening compound: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
6425-0014 Screening compound: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6425-0014
3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-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

6425-0014

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol

IUPAC name

3-[4-(25-dimethoxyphenyl)-5-sulfanyl-4H-124-triazol-3-yl]phenol

SMILES

COc(cc1)cc(-n2c(S)nnc2-c2cc(O)ccc2)c1OC

InChI

InChI=1S/C16H15N3O3S/c1-21-12-6-7-14(22-2)13(9-12)19-15(17-18-16(19)23)10-4-3-5-11(20)8-10/h3-9,20H,1-2H3,(H,18,23)

InChI Key

KCTMRTNTEAGLQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02854336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

1.469

Water Solubility, LogSw

-2.89

Polar Surface Area

55.948

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6425-0014 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6425-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6425-0014?
Check Price and Availability of 6425-0014, 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 6425-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6425-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6425-0014
  • 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 6425-0014 available by request