8015-5014 Screening compound: 2-[2-(acetylamino)-6-hydroxy-9H-purin-9-yl]-4-(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro-3-furanyl acetate

8015-5014 Screening compound: 2-[2-(acetylamino)-6-hydroxy-9H-purin-9-yl]-4-(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro-3-furanyl acetate
8015-5014 Screening compound: 2-[2-(acetylamino)-6-hydroxy-9H-purin-9-yl]-4-(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro-3-furanyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5014
2-[2-(acetylamino)-6-hydroxy-9H-purin-9-yl]-4-(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro-3-furanyl 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

8015-5014

Molecular Formula

C18H21N5O9 (C18 H21 N5 O9)

Compound Name

2-[2-(acetylamino)-6-hydroxy-9H-purin-9-yl]-4-(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro-3-furanyl acetate

IUPAC name

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

SMILES

CC(Nc1nc(O)c2ncn(C(C3OC(C)=O)OC(COC(C)=O)C3OC(C)=O)c2n1)=O

InChI

InChI=1S/C18H21N5O9/c1-7(24)20-18-21-15-12(16(28)22-18)19-6-23(15)17-14(31-10(4)27)13(30-9(3)26)11(32-17)5-29-8(2)25/h6,11,13-14,17H,5H2,1-4H3,(H2,20,21,22,24,28)

InChI Key

VAOWFBIAKCKHTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.39

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

-0.114

Distribution Coefficient, logD

-1.152

Water Solubility, LogSw

-1.58

Polar Surface Area

142.530

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

8015-5014 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Proteases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8015-5014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5014?
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What is the minimum amount of 8015-5014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5014
  • 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 8015-5014 available by request