F521-0118 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetamide

F521-0118 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetamide
F521-0118 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F521-0118
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}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

F521-0118

Molecular Formula

C25H22N4O6 (C25 H22 N4 O6)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{3-[(4-methoxyphenyl)methyl]-24-dioxo-1H2H3H4H-pyrido[32-d]pyrimidin-1-yl}acetamide

SMILES

COc1ccc(CN(C(c(nccc2)c2N2CC(Nc(cc3)cc4c3OCCO4)=O)=O)C2=O)cc1

InChI

InChI=1S/C25H22N4O6/c1-33-18-7-4-16(5-8-18)14-29-24(31)23-19(3-2-10-26-23)28(25(29)32)15-22(30)27-17-6-9-20-21(13-17)35-12-11-34-20/h2-10,13H,11-12,14-15H2,1H3,(H,27,30)

InChI Key

QBVPGOHRWRNEQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.957

Distribution Coefficient, logD

1.957

Water Solubility, LogSw

-2.74

Polar Surface Area

87.692

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F521-0118 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F521-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F521-0118?
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What is the minimum amount of F521-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F521-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F521-0118
  • 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 F521-0118 available by request