F521-0242 Screening compound: benzyl 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetate

F521-0242 Screening compound: benzyl 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetate
F521-0242 Screening compound: benzyl 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F521-0242
benzyl 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetate

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

F521-0242

Molecular Formula

C24H19N3O6 (C24 H19 N3 O6)

Compound Name

benzyl 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetate

IUPAC name

benzyl 2-{3-[(2H-13-benzodioxol-5-yl)methyl]-24-dioxo-1H2H3H4H-pyrido[32-d]pyrimidin-1-yl}acetate

SMILES

O=C(CN(c1c(C(N2Cc(cc3)cc4c3OCO4)=O)nccc1)C2=O)OCc1ccccc1

InChI

InChI=1S/C24H19N3O6/c28-21(31-14-16-5-2-1-3-6-16)13-26-18-7-4-10-25-22(18)23(29)27(24(26)30)12-17-8-9-19-20(11-17)33-15-32-19/h1-11H,12-15H2

InChI Key

ARVIWOYKGAVRBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.28

Polar Surface Area

78.826

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F521-0242 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F521-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F521-0242?
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What is the minimum amount of F521-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F521-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F521-0242
  • 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 F521-0242 available by request