8016-1931 Screening compound: 5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole

8016-1931 Screening compound: 5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole
8016-1931 Screening compound: 5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1931
5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole

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

8016-1931

Molecular Formula

C19H17N5OS (C19 H17 N5 OS)

Compound Name

5-({[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole

IUPAC name

5-({[4-methyl-5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-3-phenyl-124-oxadiazole

SMILES

Cc(cc1)ccc1-c(n1C)nnc1SCc1nc(-c2ccccc2)no1

InChI

InChI=1S/C19H17N5OS/c1-13-8-10-15(11-9-13)18-21-22-19(24(18)2)26-12-16-20-17(23-25-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3

InChI Key

HJPAEGJGZFKWIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.682

Distribution Coefficient, logD

4.682

Water Solubility, LogSw

-4.49

Polar Surface Area

56.394

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8016-1931 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-1931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1931?
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What is the minimum amount of 8016-1931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1931
  • 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 8016-1931 available by request