4933-0015 Screening compound: 3-(4-hydroxyphenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

4933-0015 Screening compound: 3-(4-hydroxyphenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
4933-0015 Screening compound: 3-(4-hydroxyphenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4933-0015
3-(4-hydroxyphenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

4933-0015

Molecular Formula

C11H11N3OS (C11 H11 N3 OS)

Compound Name

3-(4-hydroxyphenyl)-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

3-(4-hydroxyphenyl)-4-(prop-2-en-1-yl)-45-dihydro-1H-124-triazole-5-thione

SMILES

C=CCN(C(c(cc1)ccc1O)=NN1)C1=S

InChI

InChI=1S/C11H11N3OS/c1-2-7-14-10(12-13-11(14)16)8-3-5-9(15)6-4-8/h2-6,15H,1,7H2,(H,13,16)

InChI Key

OZFCOAQXBZKZMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00099433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.279

Distribution Coefficient, logD

1.807

Water Solubility, LogSw

-2.06

Polar Surface Area

45.452

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4933-0015 in Drug Discovery

Included in Screening Libraries

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 4933-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4933-0015?
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What is the minimum amount of 4933-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4933-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4933-0015
  • 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 4933-0015 available by request