Y021-0523 Screening compound: 2-[(furan-2-yl)methyl]-8-(1H-1,2,4-triazol-5-yl)-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione

Y021-0523 Screening compound: 2-[(furan-2-yl)methyl]-8-(1H-1,2,4-triazol-5-yl)-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione
Y021-0523 Screening compound: 2-[(furan-2-yl)methyl]-8-(1H-1,2,4-triazol-5-yl)-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0523
2-[(furan-2-yl)methyl]-8-(1H-1,2,4-triazol-5-yl)-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

Y021-0523

Molecular Formula

C18H12N6O3 (C18 H12 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2)N(Cc3ccco3)C=Cc1nc(C=CN1c3ncn[nH]3)c2C1=O

InChI

InChI=1S/C18H12N6O3/c25-16-12-8-13-15(4-6-24(17(13)26)18-19-10-20-22-18)21-14(12)3-5-23(16)9-11-2-1-7-27-11/h1-8,10H,9H2,(H,19,20,22)

InChI Key

SNTFJUAJCAUZDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12217729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.319

Distribution Coefficient, logD

1.311

Water Solubility, LogSw

-2.20

Polar Surface Area

84.675

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

Y021-0523 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 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 Y021-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0523?
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What is the minimum amount of Y021-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0523
  • 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 Y021-0523 available by request