F462-0938 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydropteridin-1-yl]acetamide

F462-0938 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydropteridin-1-yl]acetamide
F462-0938 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydropteridin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0938
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydropteridin-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

F462-0938

Molecular Formula

C24H21N5O5 (C24 H21 N5 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydropteridin-1-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[24-dioxo-3-(2-phenylethyl)-1234-tetrahydropteridin-1-yl]acetamide

SMILES

O=C(CN(c1nccnc1C(N1CCc2ccccc2)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H21N5O5/c30-20(27-13-17-6-7-18-19(12-17)34-15-33-18)14-29-22-21(25-9-10-26-22)23(31)28(24(29)32)11-8-16-4-2-1-3-5-16/h1-7,9-10,12H,8,11,13-15H2,(H,27,30)

InChI Key

WOOARAZSANLJHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27131024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-2.84

Polar Surface Area

93.072

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F462-0938 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F462-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0938?
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What is the minimum amount of F462-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0938
  • 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 F462-0938 available by request