Y020-4197 Screening compound: 2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-phenyl-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione

Y020-4197 Screening compound: 2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-phenyl-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione
Y020-4197 Screening compound: 2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-phenyl-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-4197
2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-phenyl-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione

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

Y020-4197

Molecular Formula

C26H18N6O2S (C26 H18 N6 O2 S)

Compound Name

2-[3-(benzylsulfanyl)-1H-1,2,4-triazol-5-yl]-8-phenyl-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione

IUPAC name

2-[3-(benzylsulfanyl)-1H-124-triazol-5-yl]-8-phenyl-1H2H8H9H-pyrido[43-b]16-naphthyridine-19-dione

SMILES

O=C(c1c(C=C2)nc(C=CN(c3ccccc3)C3=O)c3c1)N2c1nc(SCc2ccccc2)n[nH]1

InChI

InChI=1S/C26H18N6O2S/c33-23-19-15-20-22(27-21(19)11-13-31(23)18-9-5-2-6-10-18)12-14-32(24(20)34)25-28-26(30-29-25)35-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,28,29,30)

InChI Key

KVWRPDUZXUVKTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15198858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-4.32

Polar Surface Area

73.284

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

Y020-4197 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-4197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-4197?
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What is the minimum amount of Y020-4197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-4197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-4197
  • 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 Y020-4197 available by request