2516-4695 Screening compound: 8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

2516-4695 Screening compound: 8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
2516-4695 Screening compound: 8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2516-4695
8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

2516-4695

Molecular Formula

C11H16N4O3S (C11 H16 N4 O3 S)

Compound Name

8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-propyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCn1c(SCCO)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C11H16N4O3S/c1-3-4-15-7-8(12-11(15)19-6-5-16)14(2)10(18)13-9(7)17/h16H,3-6H2,1-2H3,(H,13,17,18)

InChI Key

ZDQPQPMTUOPLGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01032070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.922

Distribution Coefficient, logD

0.922

Water Solubility, LogSw

-1.90

Polar Surface Area

69.106

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

2516-4695 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2516-4695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2516-4695?
Check Price and Availability of 2516-4695, 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 2516-4695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-4695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-4695
  • 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 2516-4695 available by request