F462-0623 Screening compound: 2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

F462-0623 Screening compound: 2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
F462-0623 Screening compound: 2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0623
2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[3-(methylsulfanyl)phenyl]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

F462-0623

Molecular Formula

C23H21N5O4S (C23 H21 N5 O4 S)

Compound Name

2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{3-[(4-methoxyphenyl)methyl]-24-dioxo-1234-tetrahydropteridin-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

COc1ccc(CN(C(c2nccnc2N2CC(Nc3cccc(SC)c3)=O)=O)C2=O)cc1

InChI

InChI=1S/C23H21N5O4S/c1-32-17-8-6-15(7-9-17)13-28-22(30)20-21(25-11-10-24-20)27(23(28)31)14-19(29)26-16-4-3-5-18(12-16)33-2/h3-12H,13-14H2,1-2H3,(H,26,29)

InChI Key

REGGQKJOLRNXHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-3.41

Polar Surface Area

82.200

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F462-0623 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F462-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0623?
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What is the minimum amount of F462-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0623
  • 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 F462-0623 available by request