7832-0070 Screening compound: 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

7832-0070 Screening compound: 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
7832-0070 Screening compound: 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7832-0070
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-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

7832-0070

Molecular Formula

C16H19N5OS (C16 H19 N5 OS)

Compound Name

5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-4H-124-triazole-3-thiol

SMILES

CC(C)(C)c1n[nH]c(-c(n2-c(cc3)ccc3OC)nnc2S)c1

InChI

InChI=1S/C16H19N5OS/c1-16(2,3)13-9-12(17-18-13)14-19-20-15(23)21(14)10-5-7-11(22-4)8-6-10/h5-9H,1-4H3,(H,17,18)(H,20,23)

InChI Key

XSJJVBYKWXEQKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.400

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-3.63

Polar Surface Area

53.763

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

7832-0070 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7832-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7832-0070?
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What is the minimum amount of 7832-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7832-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7832-0070
  • 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 7832-0070 available by request