D226-0115 Screening compound: 2-[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid

D226-0115 Screening compound: 2-[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
D226-0115 Screening compound: 2-[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0115
2-[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic 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

D226-0115

Molecular Formula

C12H16N4O4S (C12 H16 N4 O4 S)

Compound Name

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

IUPAC name

2-[(7-butyl-3-methyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid

SMILES

CCCCn1c(SCC(O)=O)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C12H16N4O4S/c1-3-4-5-16-8-9(13-12(16)21-6-7(17)18)15(2)11(20)14-10(8)19/h3-6H2,1-2H3,(H,17,18)(H,14,19,20)

InChI Key

OHMFAHMIYSFGPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00630789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.247

Distribution Coefficient, logD

-2.197

Water Solubility, LogSw

-2.02

Polar Surface Area

80.834

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D226-0115 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with D226-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0115?
Check Price and Availability of D226-0115, 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 D226-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0115
  • 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 D226-0115 available by request