D585-0244 Screening compound: 1-(3,4-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one

D585-0244 Screening compound: 1-(3,4-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one
D585-0244 Screening compound: 1-(3,4-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0244
1-(3,4-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one

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

D585-0244

Molecular Formula

C13H10N4O4S (C13 H10 N4 O4 S)

Compound Name

1-(3,4-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-(34-dihydroxyphenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]ethan-1-one

SMILES

Oc(ccc(C(CSc1nc(O)c2nc[nH]c2n1)=O)c1)c1O

InChI

InChI=1S/C13H10N4O4S/c18-7-2-1-6(3-8(7)19)9(20)4-22-13-16-11-10(12(21)17-13)14-5-15-11/h1-3,5,18-19H,4H2,(H2,14,15,16,17,21)

InChI Key

CEQNINHUMBEBQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10474408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.579

Distribution Coefficient, logD

0.039

Water Solubility, LogSw

-2.09

Polar Surface Area

103.190

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D585-0244 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Nucleoside Mimetics Library (2197 compounds)

Carbonic Anhydrase II Library (4939 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D585-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0244?
Check Price and Availability of D585-0244, 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 D585-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0244
  • 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 D585-0244 available by request