Y020-5069 Screening compound: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

Y020-5069 Screening compound: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
Y020-5069 Screening compound: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5069
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-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

Y020-5069

Molecular Formula

C24H28N4OS (C24 H28 N4 OS)

Compound Name

2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-[(4-methyl-4H-124-triazol-3-yl)sulfanyl]-1-(2246-tetramethyl-4-phenyl-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC(C)(CC1(C)c2ccccc2)N(C(CSc2nncn2C)=O)c2c1cc(C)cc2

InChI

InChI=1S/C24H28N4OS/c1-17-11-12-20-19(13-17)24(4,18-9-7-6-8-10-18)15-23(2,3)28(20)21(29)14-30-22-26-25-16-27(22)5/h6-13,16H,14-15H2,1-5H3/t24-/m0/s1

InChI Key

OLIDMKUEVZBBNP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01859270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.34

Polar Surface Area

39.291

Acid Dissociation Constant (pKa)

19.81

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y020-5069 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 Y020-5069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5069?
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What is the minimum amount of Y020-5069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5069
  • 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 Y020-5069 available by request