8415-03995 Screening compound: 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one

8415-03995 Screening compound: 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one
8415-03995 Screening compound: 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8415-03995
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one

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

8415-03995

Molecular Formula

C18H17N3OS (C18 H17 N3 OS)

Compound Name

2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one

IUPAC name

2-[(4-methyl-5-phenyl-4H-124-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethan-1-one

SMILES

Cc(cc1)ccc1C(CSc1nnc(-c2ccccc2)n1C)=O

InChI

InChI=1S/C18H17N3OS/c1-13-8-10-14(11-9-13)16(22)12-23-18-20-19-17(21(18)2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3

InChI Key

CTPKJVXHHPQCCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02588766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.660

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-3.84

Polar Surface Area

38.298

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8415-03995 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 8415-03995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8415-03995?
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What is the minimum amount of 8415-03995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8415-03995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8415-03995
  • 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 8415-03995 available by request