D226-0131 Screening compound: 3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid

D226-0131 Screening compound: 3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid
D226-0131 Screening compound: 3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0131
3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid

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

D226-0131

Molecular Formula

C14H20N4O4S (C14 H20 N4 O4 S)

Compound Name

3-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid

IUPAC name

3-[(3-methyl-26-dioxo-7-pentyl-2367-tetrahydro-1H-purin-8-yl)sulfanyl]propanoic acid

SMILES

CCCCCn1c(SCCC(O)=O)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C14H20N4O4S/c1-3-4-5-7-18-10-11(17(2)13(22)16-12(10)21)15-14(18)23-8-6-9(19)20/h3-8H2,1-2H3,(H,19,20)(H,16,21,22)

InChI Key

JEWAYRYQXKPQBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00653106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.135

Distribution Coefficient, logD

-0.560

Water Solubility, LogSw

-2.37

Polar Surface Area

80.834

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D226-0131 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Targeted Diversity Library (40567 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D226-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0131?
Check Price and Availability of D226-0131, 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 D226-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0131
  • 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 D226-0131 available by request