2513-4169 Screening compound: 8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

2513-4169 Screening compound: 8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
2513-4169 Screening compound: 8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-4169
8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-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

2513-4169

Molecular Formula

C23H25N5O4 (C23 H25 N5 O4)

Compound Name

8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc(cccc1)c1OCC(Cn1c(NCc2ccccc2)nc(N(C)C(N2)=O)c1C2=O)O

InChI

InChI=1S/C23H25N5O4/c1-15-8-6-7-11-18(15)32-14-17(29)13-28-19-20(27(2)23(31)26-21(19)30)25-22(28)24-12-16-9-4-3-5-10-16/h3-11,17,29H,12-14H2,1-2H3,(H,24,25)(H,26,30,31)/t17-/m0/s1

InChI Key

JSUGBGWTSFJOGI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01876851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-3.63

Polar Surface Area

87.966

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

2513-4169 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Nucleoside Mimetics Library (2197 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2513-4169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-4169?
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What is the minimum amount of 2513-4169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-4169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-4169
  • 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 2513-4169 available by request