6049-0268 Screening compound: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol

6049-0268 Screening compound: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
6049-0268 Screening compound: 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0268
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-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

6049-0268

Molecular Formula

C11H16ClN5S (C11 H16 ClN5 S)

Compound Name

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

IUPAC name

5-(4-chloro-15-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-124-triazole-3-thiol

SMILES

CC(C)Cn1c(S)nnc1-c1nn(C)c(C)c1Cl

InChI

InChI=1S/C11H16ClN5S/c1-6(2)5-17-10(13-14-11(17)18)9-8(12)7(3)16(4)15-9/h6H,5H2,1-4H3,(H,14,18)

InChI Key

IMZORTFUIXXCJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03074762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.8

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

2.119

Distribution Coefficient, logD

2.025

Water Solubility, LogSw

-2.90

Polar Surface Area

38.019

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

6049-0268 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 6049-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0268?
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What is the minimum amount of 6049-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0268
  • 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 6049-0268 available by request