D585-0090 Screening compound: 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic acid

D585-0090 Screening compound: 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic acid
D585-0090 Screening compound: 4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0090
4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic 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

D585-0090

Molecular Formula

C13H10N4O3S (C13 H10 N4 O3 S)

Compound Name

4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic acid

IUPAC name

4-{[(6-hydroxy-9H-purin-2-yl)sulfanyl]methyl}benzoic acid

SMILES

OC(c1ccc(CSc2nc(O)c3nc[nH]c3n2)cc1)=O

InChI

InChI=1S/C13H10N4O3S/c18-11-9-10(15-6-14-9)16-13(17-11)21-5-7-1-3-8(4-2-7)12(19)20/h1-4,6H,5H2,(H,19,20)(H2,14,15,16,17,18)

InChI Key

DVFPRXBFLPUVGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.293

Distribution Coefficient, logD

-1.678

Water Solubility, LogSw

-2.11

Polar Surface Area

85.255

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D585-0090 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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
  • Immune system
  • 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 D585-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0090?
Check Price and Availability of D585-0090, 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 D585-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0090
  • 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 D585-0090 available by request