D585-0074 Screening compound: ethyl 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetate

D585-0074 Screening compound: ethyl 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetate
D585-0074 Screening compound: ethyl 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0074
ethyl 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]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

D585-0074

Molecular Formula

C9H10N4O3S (C9 H10 N4 O3 S)

Compound Name

ethyl 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetate

IUPAC name

ethyl 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetate

SMILES

CCOC(CSc1nc(O)c2nc[nH]c2n1)=O

InChI

InChI=1S/C9H10N4O3S/c1-2-16-5(14)3-17-9-12-7-6(8(15)13-9)10-4-11-7/h4H,2-3H2,1H3,(H2,10,11,12,13,15)

InChI Key

YUQGXHIIAOIQEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10474268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.332

Distribution Coefficient, logD

-0.208

Water Solubility, LogSw

-2.01

Polar Surface Area

77.277

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D585-0074 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D585-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0074?
Check Price and Availability of D585-0074, 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 D585-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0074
  • 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 D585-0074 available by request