Y020-8399 Screening compound: 6-(3-nitrophenyl)-2-(pyrrolidin-1-yl)-5H,6H-pyrido[4,3-d]pyrimidin-5-one

Y020-8399 Screening compound: 6-(3-nitrophenyl)-2-(pyrrolidin-1-yl)-5H,6H-pyrido[4,3-d]pyrimidin-5-one
Y020-8399 Screening compound: 6-(3-nitrophenyl)-2-(pyrrolidin-1-yl)-5H,6H-pyrido[4,3-d]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8399
6-(3-nitrophenyl)-2-(pyrrolidin-1-yl)-5H,6H-pyrido[4,3-d]pyrimidin-5-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

Y020-8399

Molecular Formula

C17H15N5O3 (C17 H15 N5 O3)

Compound Name

6-(3-nitrophenyl)-2-(pyrrolidin-1-yl)-5H,6H-pyrido[4,3-d]pyrimidin-5-one

IUPAC name

6-(3-nitrophenyl)-2-(pyrrolidin-1-yl)-5H6H-pyrido[43-d]pyrimidin-5-one

SMILES

[O-][N+](c1cc(N(C=Cc2c3cnc(N4CCCC4)n2)C3=O)ccc1)=O

InChI

InChI=1S/C17H15N5O3/c23-16-14-11-18-17(20-7-1-2-8-20)19-15(14)6-9-21(16)12-4-3-5-13(10-12)22(24)25/h3-6,9-11H,1-2,7-8H2

InChI Key

VWJVTJTUVZFEIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11081907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.468

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-2.73

Polar Surface Area

71.956

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y020-8399 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 Y020-8399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8399?
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What is the minimum amount of Y020-8399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8399
  • 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 Y020-8399 available by request