7919-0033 Screening compound: 2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one

7919-0033 Screening compound: 2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
7919-0033 Screening compound: 2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7919-0033
2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-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

7919-0033

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

2-{[5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one

IUPAC name

2-{[5-(4-ethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-1-phenylethan-1-one

SMILES

CCOc(cc1)ccc1-c([nH]1)nnc1SCC(c1ccccc1)=O

InChI

InChI=1S/C18H17N3O2S/c1-2-23-15-10-8-14(9-11-15)17-19-18(21-20-17)24-12-16(22)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,19,20,21)

InChI Key

OLZUPXDHOSROPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

2.042

Water Solubility, LogSw

-3.43

Polar Surface Area

52.844

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7919-0033 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7919-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7919-0033?
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What is the minimum amount of 7919-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7919-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7919-0033
  • 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 7919-0033 available by request