D585-0066 Screening compound: N-(3,5-dichloropyridin-2-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide

D585-0066 Screening compound: N-(3,5-dichloropyridin-2-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
D585-0066 Screening compound: N-(3,5-dichloropyridin-2-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0066
N-(3,5-dichloropyridin-2-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]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

D585-0066

Molecular Formula

C12H8Cl2N6O2S (C12 H8 Cl2 N6 O2 S)

Compound Name

N-(3,5-dichloropyridin-2-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide

IUPAC name

N-(35-dichloropyridin-2-yl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide

SMILES

Oc1c2nc[nH]c2nc(SCC(Nc(ncc(Cl)c2)c2Cl)=O)n1

InChI

InChI=1S/C12H8Cl2N6O2S/c13-5-1-6(14)9(15-2-5)18-7(21)3-23-12-19-10-8(11(22)20-12)16-4-17-10/h1-2,4H,3H2,(H,15,18,21)(H2,16,17,19,20,22)

InChI Key

ZCMLKDBUAJFAHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.071

Distribution Coefficient, logD

0.531

Water Solubility, LogSw

-2.61

Polar Surface Area

89.773

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D585-0066 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D585-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0066?
Check Price and Availability of D585-0066, 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 D585-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0066
  • 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 D585-0066 available by request