8018-6061 Screening compound: 5-(4-methoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

8018-6061 Screening compound: 5-(4-methoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
8018-6061 Screening compound: 5-(4-methoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6061
5-(4-methoxyphenyl)-4-(pyridin-3-yl)-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

8018-6061

Molecular Formula

C14H12N4OS (C14 H12 N4 OS)

Compound Name

5-(4-methoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(4-methoxyphenyl)-4-(pyridin-3-yl)-4H-124-triazole-3-thiol

SMILES

COc(cc1)ccc1-c(n1-c2cnccc2)nnc1S

InChI

InChI=1S/C14H12N4OS/c1-19-12-6-4-10(5-7-12)13-16-17-14(20)18(13)11-3-2-8-15-9-11/h2-9H,1H3,(H,17,20)

InChI Key

NPWRXOGFWLAFKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

0.938

Water Solubility, LogSw

-1.81

Polar Surface Area

40.519

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 8018-6061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6061?
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What is the minimum amount of 8018-6061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6061
  • 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 8018-6061 available by request