3346-2621 Screening compound: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3346-2621 Screening compound: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3346-2621 Screening compound: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-2621
7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(dimethylamino)ethyl]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

3346-2621

Molecular Formula

C19H24Cl2N6O4 (C19 H24 Cl2 N6 O4)

Compound Name

7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[3-(24-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(C)CCNc1nc(N(C)C(NC2=O)=O)c2n1CC(COc(ccc(Cl)c1)c1Cl)O

InChI

InChI=1S/C19H24Cl2N6O4/c1-25(2)7-6-22-18-23-16-15(17(29)24-19(30)26(16)3)27(18)9-12(28)10-31-14-5-4-11(20)8-13(14)21/h4-5,8,12,28H,6-7,9-10H2,1-3H3,(H,22,23)(H,24,29,30)/t12-/m0/s1

InChI Key

ZYQJAAIPIQIGKK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02983184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

-0.143

Water Solubility, LogSw

-3.38

Polar Surface Area

91.944

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

3346-2621 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with 3346-2621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-2621?
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What is the minimum amount of 3346-2621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-2621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-2621
  • 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 3346-2621 available by request