5227-1009 Screening compound: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5227-1009 Screening compound: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5227-1009 Screening compound: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5227-1009
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-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

5227-1009

Molecular Formula

C19H24ClN5O5 (C19 H24 ClN5 O5)

Compound Name

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CC(COc(cc3)ccc3Cl)O)c(NCCCOC)n1)C2=O

InChI

InChI=1S/C19H24ClN5O5/c1-24-16-15(17(27)23-19(24)28)25(18(22-16)21-8-3-9-29-2)10-13(26)11-30-14-6-4-12(20)5-7-14/h4-7,13,26H,3,8-11H2,1-2H3,(H,21,22)(H,23,27,28)/t13-/m0/s1

InChI Key

KHXVMMTWQMOXMV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03933526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.444

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-3.06

Polar Surface Area

96.334

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

5227-1009 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

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 5227-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5227-1009?
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What is the minimum amount of 5227-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5227-1009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5227-1009
  • 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 5227-1009 available by request