D058-0029 Screening compound: 2-[(6-amino-9H-purin-8-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

D058-0029 Screening compound: 2-[(6-amino-9H-purin-8-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
D058-0029 Screening compound: 2-[(6-amino-9H-purin-8-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0029
2-[(6-amino-9H-purin-8-yl)sulfanyl]-N-[(furan-2-yl)methyl]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

D058-0029

Molecular Formula

C12H12N6O2S (C12 H12 N6 O2 S)

Compound Name

2-[(6-amino-9H-purin-8-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-[(6-amino-9H-purin-8-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide

SMILES

Nc1ncnc([nH]2)c1nc2SCC(NCc1ccco1)=O

InChI

InChI=1S/C12H12N6O2S/c13-10-9-11(16-6-15-10)18-12(17-9)21-5-8(19)14-4-7-2-1-3-20-7/h1-3,6H,4-5H2,(H,14,19)(H3,13,15,16,17,18)

InChI Key

XFKWLRUSFJCSSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02908140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.603

Distribution Coefficient, logD

0.376

Water Solubility, LogSw

-2.07

Polar Surface Area

92.803

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D058-0029 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Structure:
  • Mimetics
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D058-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0029?
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What is the minimum amount of D058-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0029
  • 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 D058-0029 available by request