Y020-3944 Screening compound: 5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-[(4-phenoxyphenyl)amino]-3H,4H-pyrido[2,3-d]pyrimidin-4-one

Y020-3944 Screening compound: 5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-[(4-phenoxyphenyl)amino]-3H,4H-pyrido[2,3-d]pyrimidin-4-one
Y020-3944 Screening compound: 5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-[(4-phenoxyphenyl)amino]-3H,4H-pyrido[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-3944
5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-[(4-phenoxyphenyl)amino]-3H,4H-pyrido[2,3-d]pyrimidin-4-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

Y020-3944

Molecular Formula

C25H18N4O5 (C25 H18 N4 O5)

Compound Name

5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-[(4-phenoxyphenyl)amino]-3H,4H-pyrido[2,3-d]pyrimidin-4-one

IUPAC name

5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-[(4-phenoxyphenyl)amino]-3H4H-pyrido[23-d]pyrimidin-4-one

SMILES

CC(O1)=CC(O)=C(c2c(C(NC(Nc(cc3)ccc3Oc3ccccc3)=N3)=O)c3ncc2)C1=O

InChI

InChI=1S/C25H18N4O5/c1-14-13-19(30)20(24(32)33-14)18-11-12-26-22-21(18)23(31)29-25(28-22)27-15-7-9-17(10-8-15)34-16-5-3-2-4-6-16/h2-13,30H,1H3,(H2,26,27,28,29,31)

InChI Key

HGKGOVDDNKLCQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12214180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

-0.450

Water Solubility, LogSw

-4.37

Polar Surface Area

98.561

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

Y020-3944 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y020-3944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-3944?
Check Price and Availability of Y020-3944, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y020-3944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-3944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-3944
  • 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 Y020-3944 available by request