5224-0087 Screening compound: 8-[(2-aminoethyl)amino]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5224-0087 Screening compound: 8-[(2-aminoethyl)amino]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5224-0087 Screening compound: 8-[(2-aminoethyl)amino]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5224-0087
8-[(2-aminoethyl)amino]-7-(2-hydroxy-3-phenoxypropyl)-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

5224-0087

Molecular Formula

C17H22N6O4 (C17 H22 N6 O4)

Compound Name

8-[(2-aminoethyl)amino]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(2-aminoethyl)amino]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CC(COc3ccccc3)O)c(NCCN)n1)C2=O

InChI

InChI=1S/C17H22N6O4/c1-22-14-13(15(25)21-17(22)26)23(16(20-14)19-8-7-18)9-11(24)10-27-12-5-3-2-4-6-12/h2-6,11,24H,7-10,18H2,1H3,(H,19,20)(H,21,25,26)/t11-/m0/s1

InChI Key

MHGZASNZECGFEF-NSHDSACASA-N

MDL Number (MFCD)

MFCD03417487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.588

Distribution Coefficient, logD

-2.678

Water Solubility, LogSw

-1.86

Polar Surface Area

109.147

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

10.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

5224-0087 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5224-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5224-0087?
Check Price and Availability of 5224-0087, 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 5224-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5224-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5224-0087
  • 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 5224-0087 available by request