8019-8996 Screening compound: 5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

8019-8996 Screening compound: 5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
8019-8996 Screening compound: 5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8996
5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

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

8019-8996

Molecular Formula

C12H13N3OS (C12 H13 N3 OS)

Compound Name

5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-124-triazole-3-thiol

SMILES

COc1cccc(-c(n2CC=C)nnc2S)c1

InChI

InChI=1S/C12H13N3OS/c1-3-7-15-11(13-14-12(15)17)9-5-4-6-10(8-9)16-2/h3-6,8H,1,7H2,2H3,(H,14,17)

InChI Key

YGIKBVVKFOTEBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00611173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.630

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.83

Polar Surface Area

30.508

Acid Dissociation Constant (pKa)

6.89

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8019-8996 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8019-8996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8996?
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What is the minimum amount of 8019-8996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8996
  • 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 8019-8996 available by request