5228-1397 Screening compound: 7-(2-hydroxyethyl)-8-[(3-hydroxypropyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5228-1397 Screening compound: 7-(2-hydroxyethyl)-8-[(3-hydroxypropyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5228-1397 Screening compound: 7-(2-hydroxyethyl)-8-[(3-hydroxypropyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-1397
7-(2-hydroxyethyl)-8-[(3-hydroxypropyl)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

5228-1397

Molecular Formula

C11H17N5O4 (C11 H17 N5 O4)

Compound Name

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

IUPAC name

7-(2-hydroxyethyl)-8-[(3-hydroxypropyl)amino]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CCO)c(NCCCO)n1)C2=O

InChI

InChI=1S/C11H17N5O4/c1-15-8-7(9(19)14-11(15)20)16(4-6-18)10(13-8)12-3-2-5-17/h17-18H,2-6H2,1H3,(H,12,13)(H,14,19,20)

InChI Key

COSVRLCKXCBFHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03933772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.977

Distribution Coefficient, logD

-0.977

Water Solubility, LogSw

-0.75

Polar Surface Area

97.434

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

5228-1397 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Akt-Targeted Library (14764 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5228-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-1397?
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What is the minimum amount of 5228-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-1397
  • 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 5228-1397 available by request