Y043-8228 Screening compound: 2-{[(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]sulfanyl}acetic acid

Y043-8228 Screening compound: 2-{[(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]sulfanyl}acetic acid
Y043-8228 Screening compound: 2-{[(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8228
2-{[(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]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

Y043-8228

Molecular Formula

C9H10N4O4S (C9 H10 N4 O4 S)

Compound Name

2-{[(3-methyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]sulfanyl}acetic acid

IUPAC name

2-{[(3-methyl-26-dioxo-2369-tetrahydro-1H-purin-8-yl)methyl]sulfanyl}acetic acid

SMILES

CN(c1c(C(N2)=O)nc(CSCC(O)=O)[nH]1)C2=O

InChI

InChI=1S/C9H10N4O4S/c1-13-7-6(8(16)12-9(13)17)10-4(11-7)2-18-3-5(14)15/h2-3H2,1H3,(H,10,11)(H,14,15)(H,12,16,17)

InChI Key

ZMBOBBNMMWPIEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.308

Distribution Coefficient, logD

-3.854

Water Solubility, LogSw

-1.57

Polar Surface Area

91.363

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y043-8228 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Nucleoside Mimetics Library (2197 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y043-8228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8228?
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What is the minimum amount of Y043-8228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8228
  • 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 Y043-8228 available by request