6049-0295 Screening compound: 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol

6049-0295 Screening compound: 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
6049-0295 Screening compound: 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0295
5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-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

6049-0295

Molecular Formula

C14H14ClN5OS (C14 H14 ClN5 OS)

Compound Name

5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-ethoxyphenyl)-4H-124-triazole-3-thiol

SMILES

CCOc(cc1)ccc1-n1c(S)nnc1-c1nn(C)cc1Cl

InChI

InChI=1S/C14H14ClN5OS/c1-3-21-10-6-4-9(5-7-10)20-13(16-17-14(20)22)12-11(15)8-19(2)18-12/h4-8H,3H2,1-2H3,(H,17,22)

InChI Key

BEKPQDBFXNYPKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03074845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

1.441

Water Solubility, LogSw

-2.89

Polar Surface Area

45.937

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

6049-0295 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6049-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0295?
Check Price and Availability of 6049-0295, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6049-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0295
  • 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 6049-0295 available by request