D585-0134 Screening compound: 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one

D585-0134 Screening compound: 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
D585-0134 Screening compound: 2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0134
2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)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

D585-0134

Molecular Formula

C11H13N5O2S (C11 H13 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1c2nc[nH]c2nc(SCC(N2CCCC2)=O)n1

InChI

InChI=1S/C11H13N5O2S/c17-7(16-3-1-2-4-16)5-19-11-14-9-8(10(18)15-11)12-6-13-9/h6H,1-5H2,(H2,12,13,14,15,18)

InChI Key

WAHAQTAZQREMAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.165

Distribution Coefficient, logD

-0.375

Water Solubility, LogSw

-1.87

Polar Surface Area

73.605

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D585-0134 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D585-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0134?
Check Price and Availability of D585-0134, 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 D585-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0134
  • 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 D585-0134 available by request