Y020-8935 Screening compound: 2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-8-(1H-1,2,4-triazol-5-yl)-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione

Y020-8935 Screening compound: 2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-8-(1H-1,2,4-triazol-5-yl)-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione
Y020-8935 Screening compound: 2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-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 Y020-8935
2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-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

Y020-8935

Molecular Formula

C17H13N9O2 (C17 H13 N9 O2)

Compound Name

2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-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-(35-dimethyl-4H-124-triazol-4-yl)-8-(1H-124-triazol-5-yl)-1H2H8H9H-pyrido[43-b]16-naphthyridine-19-dione

SMILES

Cc1nnc(C)n1N(C=Cc(nc1C=CN2c3ncn[nH]3)c3cc1C2=O)C3=O

InChI

InChI=1S/C17H13N9O2/c1-9-21-22-10(2)26(9)25-6-4-14-12(16(25)28)7-11-13(20-14)3-5-24(15(11)27)17-18-8-19-23-17/h3-8H,1-2H3,(H,18,19,23)

InChI Key

OOMBENWKVWVHOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13873065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.409

Distribution Coefficient, logD

-0.416

Water Solubility, LogSw

-1.87

Polar Surface Area

109.336

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

Y020-8935 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-8935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8935?
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What is the minimum amount of Y020-8935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8935
  • 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 Y020-8935 available by request