4555-0260 Screening compound: 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4555-0260 Screening compound: 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4555-0260 Screening compound: 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4555-0260
8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)-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

4555-0260

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(2-hydroxyethyl)amino]-13-dimethyl-7-(3-phenylpropyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCCc3ccccc3)c(NCCO)n1)C2=O

InChI

InChI=1S/C18H23N5O3/c1-21-15-14(16(25)22(2)18(21)26)23(17(20-15)19-10-12-24)11-6-9-13-7-4-3-5-8-13/h3-5,7-8,24H,6,9-12H2,1-2H3,(H,19,20)

InChI Key

JFDUQJMTVIZUFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03266021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

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

2.278

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-2.56

Polar Surface Area

71.593

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

4555-0260 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 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

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

References: we are preparing a list of scientific research reports with 4555-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4555-0260?
Check Price and Availability of 4555-0260, 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 4555-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4555-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4555-0260
  • 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 4555-0260 available by request