6049-0105 Screening compound: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

6049-0105 Screening compound: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
6049-0105 Screening compound: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0105
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-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

6049-0105

Molecular Formula

C14H14ClN5S (C14 H14 ClN5 S)

Compound Name

5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(4-chloro-15-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-124-triazole-3-thiol

SMILES

Cc(n(C)nc1-c(n2-c3ccc(C)cc3)nnc2S)c1Cl

InChI

InChI=1S/C14H14ClN5S/c1-8-4-6-10(7-5-8)20-13(16-17-14(20)21)12-11(15)9(2)19(3)18-12/h4-7H,1-3H3,(H,17,21)

InChI Key

NSTONUHPDDLKGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03074125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.607

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-3.32

Polar Surface Area

38.491

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

6049-0105 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 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 6049-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0105?
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What is the minimum amount of 6049-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0105
  • 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 6049-0105 available by request