7919-0014 Screening compound: 1-phenyl-2-{[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

7919-0014 Screening compound: 1-phenyl-2-{[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
7919-0014 Screening compound: 1-phenyl-2-{[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7919-0014
1-phenyl-2-{[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

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

7919-0014

Molecular Formula

C19H19N3O2S (C19 H19 N3 O2 S)

Compound Name

1-phenyl-2-{[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-phenyl-2-{[5-(2-propoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

CCCOc(cccc1)c1-c([nH]1)nnc1SCC(c1ccccc1)=O

InChI

InChI=1S/C19H19N3O2S/c1-2-12-24-17-11-7-6-10-15(17)18-20-19(22-21-18)25-13-16(23)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,21,22)

InChI Key

OBHBHRWYAPGUFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

2.500

Water Solubility, LogSw

-3.85

Polar Surface Area

53.225

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7919-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7919-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7919-0014?
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What is the minimum amount of 7919-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7919-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7919-0014
  • 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 7919-0014 available by request