7282-5705 Screening compound: 1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5705 Screening compound: 1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5705 Screening compound: 1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5705
1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-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

7282-5705

Molecular Formula

C18H22ClN5O3 (C18 H22 ClN5 O3)

Compound Name

1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-[(4-chlorophenyl)methyl]-8-[(4-hydroxybutyl)amino]-37-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(NCCCCO)nc(N(C)C(N2Cc(cc3)ccc3Cl)=O)c1C2=O

InChI

InChI=1S/C18H22ClN5O3/c1-22-14-15(21-17(22)20-9-3-4-10-25)23(2)18(27)24(16(14)26)11-12-5-7-13(19)8-6-12/h5-8,25H,3-4,9-11H2,1-2H3,(H,20,21)

InChI Key

RAXIDOOSFACAMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01556288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.906

Distribution Coefficient, logD

1.905

Water Solubility, LogSw

-2.77

Polar Surface Area

72.659

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

7282-5705 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 7282-5705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5705?
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What is the minimum amount of 7282-5705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5705
  • 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 7282-5705 available by request