5224-0080 Screening compound: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(3-methylphenyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5224-0080 Screening compound: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(3-methylphenyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5224-0080 Screening compound: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(3-methylphenyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5224-0080
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(3-methylphenyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-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

5224-0080

Molecular Formula

C24H27N5O5 (C24 H27 N5 O5)

Compound Name

7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(3-methylphenyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-13-dimethyl-8-[(3-methylphenyl)amino]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1cccc(Nc2nc(N(C)C(N(C)C3=O)=O)c3n2CC(COc(cc2)ccc2OC)O)c1

InChI

InChI=1S/C24H27N5O5/c1-15-6-5-7-16(12-15)25-23-26-21-20(22(31)28(3)24(32)27(21)2)29(23)13-17(30)14-34-19-10-8-18(33-4)9-11-19/h5-12,17,30H,13-14H2,1-4H3,(H,25,26)/t17-/m0/s1

InChI Key

LVUWOYOPMGLSJX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04014638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.34

Polar Surface Area

85.187

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

5224-0080 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 5224-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5224-0080?
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What is the minimum amount of 5224-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5224-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5224-0080
  • 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 5224-0080 available by request