F521-0289 Screening compound: 2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}-N-(2,4,6-trimethylphenyl)acetamide

F521-0289 Screening compound: 2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}-N-(2,4,6-trimethylphenyl)acetamide
F521-0289 Screening compound: 2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F521-0289
2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}-N-(2,4,6-trimethylphenyl)acetamide

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

F521-0289

Molecular Formula

C26H26N4O3 (C26 H26 N4 O3)

Compound Name

2-{3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}-N-(2,4,6-trimethylphenyl)acetamide

IUPAC name

2-{3-[(4-methylphenyl)methyl]-24-dioxo-1H2H3H4H-pyrido[32-d]pyrimidin-1-yl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc1ccc(CN(C(c(nccc2)c2N2CC(Nc3c(C)cc(C)cc3C)=O)=O)C2=O)cc1

InChI

InChI=1S/C26H26N4O3/c1-16-7-9-20(10-8-16)14-30-25(32)24-21(6-5-11-27-24)29(26(30)33)15-22(31)28-23-18(3)12-17(2)13-19(23)4/h5-13H,14-15H2,1-4H3,(H,28,31)

InChI Key

BVPPSNRMBBMSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08920835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-3.80

Polar Surface Area

62.930

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F521-0289 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F521-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F521-0289?
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What is the minimum amount of F521-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F521-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F521-0289
  • 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 F521-0289 available by request