F521-0097 Screening compound: 3-[(4-methoxyphenyl)methyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

F521-0097 Screening compound: 3-[(4-methoxyphenyl)methyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione
F521-0097 Screening compound: 3-[(4-methoxyphenyl)methyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F521-0097
3-[(4-methoxyphenyl)methyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

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

F521-0097

Molecular Formula

C26H24N4O4 (C26 H24 N4 O4)

Compound Name

3-[(4-methoxyphenyl)methyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-[(4-methoxyphenyl)methyl]-1-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-1H2H3H4H-pyrido[32-d]pyrimidine-24-dione

SMILES

COc1ccc(CN(C(c(nccc2)c2N2CC(N(CCC3)c4c3cccc4)=O)=O)C2=O)cc1

InChI

InChI=1S/C26H24N4O4/c1-34-20-12-10-18(11-13-20)16-30-25(32)24-22(9-4-14-27-24)29(26(30)33)17-23(31)28-15-5-7-19-6-2-3-8-21(19)28/h2-4,6,8-14H,5,7,15-17H2,1H3

InChI Key

GVSNXGFLAUSOSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.21

Polar Surface Area

63.777

Acid Dissociation Constant (pKa)

21.98

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F521-0097 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 F521-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F521-0097?
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What is the minimum amount of F521-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F521-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F521-0097
  • 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 F521-0097 available by request