6232-0264 Screening compound: 5-[(1H-1,3-benzodiazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol

6232-0264 Screening compound: 5-[(1H-1,3-benzodiazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
6232-0264 Screening compound: 5-[(1H-1,3-benzodiazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-0264
5-[(1H-1,3-benzodiazol-1-yl)methyl]-4-phenyl-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

6232-0264

Molecular Formula

C16H13N5S (C16 H13 N5 S)

Compound Name

5-[(1H-1,3-benzodiazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol

IUPAC name

5-[(1H-13-benzodiazol-1-yl)methyl]-4-phenyl-4H-124-triazole-3-thiol

SMILES

Sc1nnc(Cn2c(cccc3)c3nc2)n1-c1ccccc1

InChI

InChI=1S/C16H13N5S/c22-16-19-18-15(21(16)12-6-2-1-3-7-12)10-20-11-17-13-8-4-5-9-14(13)20/h1-9,11H,10H2,(H,19,22)

InChI Key

NUPVMAUQPHWUKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.799

Distribution Coefficient, logD

1.799

Water Solubility, LogSw

-1.54

Polar Surface Area

34.890

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

6232-0264 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 6232-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-0264?
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What is the minimum amount of 6232-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-0264
  • 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 6232-0264 available by request