D585-0096 Screening compound: 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetic acid

D585-0096 Screening compound: 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetic acid
D585-0096 Screening compound: 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0096
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetic acid

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

D585-0096

Molecular Formula

C7H6N4O3S (C7 H6 N4 O3 S)

Compound Name

2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetic acid

IUPAC name

2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetic acid

SMILES

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

InChI

InChI=1S/C7H6N4O3S/c12-3(13)1-15-7-10-5-4(6(14)11-7)8-2-9-5/h2H,1H2,(H,12,13)(H2,8,9,10,11,14)

InChI Key

MGMKXTOVQNCAQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10474454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.790

Distribution Coefficient, logD

-4.234

Water Solubility, LogSw

-1.75

Polar Surface Area

85.502

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D585-0096 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Nucleoside Mimetics Library (2197 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D585-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0096?
Check Price and Availability of D585-0096, 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 D585-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0096
  • 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 D585-0096 available by request