Y020-7982 Screening compound: 2-(benzylsulfanyl)-N-(naphthalen-1-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

Y020-7982 Screening compound: 2-(benzylsulfanyl)-N-(naphthalen-1-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Y020-7982 Screening compound: 2-(benzylsulfanyl)-N-(naphthalen-1-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7982
2-(benzylsulfanyl)-N-(naphthalen-1-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

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

Y020-7982

Molecular Formula

C23H19N5O2S (C23 H19 N5 O2 S)

Compound Name

2-(benzylsulfanyl)-N-(naphthalen-1-yl)-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

IUPAC name

2-(benzylsulfanyl)-N-(naphthalen-1-yl)-5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidine-7-carboxamide

SMILES

O=C(C(CC(Nc1n2)=O)n1nc2SCc1ccccc1)Nc1cccc2ccccc12

InChI

InChI=1S/C23H19N5O2S/c29-20-13-19(21(30)24-18-12-6-10-16-9-4-5-11-17(16)18)28-22(25-20)26-23(27-28)31-14-15-7-2-1-3-8-15/h1-12,19H,13-14H2,(H,24,30)(H,25,26,27,29)/t19-/m0/s1

InChI Key

KOLFUBZHWLECSS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08547088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.50

Polar Surface Area

72.154

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

Y020-7982 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-7982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7982?
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What is the minimum amount of Y020-7982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7982
  • 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 Y020-7982 available by request