4236-1022 Screening compound: 8-{[(furan-2-yl)methyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-1022 Screening compound: 8-{[(furan-2-yl)methyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-1022 Screening compound: 8-{[(furan-2-yl)methyl]amino}-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 4236-1022
8-{[(furan-2-yl)methyl]amino}-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

4236-1022

Molecular Formula

C21H23N5O5 (C21 H23 N5 O5)

Compound Name

8-{[(furan-2-yl)methyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-{[(furan-2-yl)methyl]amino}-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc(cccc1)c1OCC(Cn1c(NCc2ccco2)nc(N(C)C(N2)=O)c1C2=O)O

InChI

InChI=1S/C21H23N5O5/c1-13-6-3-4-8-16(13)31-12-14(27)11-26-17-18(25(2)21(29)24-19(17)28)23-20(26)22-10-15-7-5-9-30-15/h3-9,14,27H,10-12H2,1-2H3,(H,22,23)(H,24,28,29)/t14-/m0/s1

InChI Key

FETCBGZRWUBUOL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02579092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.43

Polar Surface Area

95.714

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

4236-1022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with 4236-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-1022?
Check Price and Availability of 4236-1022, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4236-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-1022
  • 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 4236-1022 available by request