Y020-5342 Screening compound: 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

Y020-5342 Screening compound: 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
Y020-5342 Screening compound: 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5342
2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)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

Y020-5342

Molecular Formula

C28H28N4OS (C28 H28 N4 OS)

Compound Name

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

IUPAC name

2-[(5-phenyl-4H-124-triazol-3-yl)sulfanyl]-1-(224-trimethyl-4-phenyl-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC(C)(CC1(C)c2ccccc2)N(C(CSc2nnc(-c3ccccc3)[nH]2)=O)c2c1cccc2

InChI

InChI=1S/C28H28N4OS/c1-27(2)19-28(3,21-14-8-5-9-15-21)22-16-10-11-17-23(22)32(27)24(33)18-34-26-29-25(30-31-26)20-12-6-4-7-13-20/h4-17H,18-19H2,1-3H3,(H,29,30,31)/t28-/m0/s1

InChI Key

XBHHZEYOENTBHK-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD02722442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.254

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-5.20

Polar Surface Area

46.032

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y020-5342 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y020-5342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5342?
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What is the minimum amount of Y020-5342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5342
  • 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 Y020-5342 available by request