8006-1554 Screening compound: [3,4-bis(acetyloxy)-5-(2-amino-6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methyl acetate

8006-1554 Screening compound: [3,4-bis(acetyloxy)-5-(2-amino-6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methyl acetate
8006-1554 Screening compound: [3,4-bis(acetyloxy)-5-(2-amino-6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1554
[3,4-bis(acetyloxy)-5-(2-amino-6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methyl acetate

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

8006-1554

Molecular Formula

C16H19N5O8 (C16 H19 N5 O8)

Compound Name

[3,4-bis(acetyloxy)-5-(2-amino-6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methyl acetate

IUPAC name

[34-bis(acetyloxy)-5-(2-amino-6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methyl acetate

SMILES

CC(OCC(C(C1OC(C)=O)OC(C)=O)OC1n1c2nc(N)nc(O)c2nc1)=O

InChI

InChI=1S/C16H19N5O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-5-18-10-13(21)19-16(17)20-14(10)25/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,25)

InChI Key

ULXDFYDZZFYGIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.36

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-0.029

Distribution Coefficient, logD

-0.520

Water Solubility, LogSw

-0.87

Polar Surface Area

138.600

Acid Dissociation Constant (pKa)

7.08

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

8006-1554 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-1554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1554?
Check Price and Availability of 8006-1554, 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 8006-1554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1554
  • 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 8006-1554 available by request