D585-0558 Screening compound: 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide

D585-0558 Screening compound: 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
D585-0558 Screening compound: 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0558
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide

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

D585-0558

Molecular Formula

C14H13N5O2S2 (C14 H13 N5 O2 S2)

Compound Name

2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CSc1cccc(NC(CSc2nc(O)c3nc[nH]c3n2)=O)c1

InChI

InChI=1S/C14H13N5O2S2/c1-22-9-4-2-3-8(5-9)17-10(20)6-23-14-18-12-11(13(21)19-14)15-7-16-12/h2-5,7H,6H2,1H3,(H,17,20)(H2,15,16,18,19,21)

InChI Key

RETSPNDXPOSECS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.582

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-2.37

Polar Surface Area

79.996

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D585-0558 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D585-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0558?
Check Price and Availability of D585-0558, 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 D585-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0558
  • 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 D585-0558 available by request