Y043-8142 Screening compound: 2-(9H-purin-6-ylsulfanyl)propanoic acid

Y043-8142 Screening compound: 2-(9H-purin-6-ylsulfanyl)propanoic acid
Y043-8142 Screening compound: 2-(9H-purin-6-ylsulfanyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8142
2-(9H-purin-6-ylsulfanyl)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

Y043-8142

Molecular Formula

C8H8N4O2S (C8 H8 N4 O2 S)

Compound Name

2-(9H-purin-6-ylsulfanyl)propanoic acid

IUPAC name

2-(9H-purin-6-ylsulfanyl)propanoic acid

SMILES

CC(C(O)=O)Sc1ncnc2c1nc[nH]2

InChI

InChI=1S/C8H8N4O2S/c1-4(8(13)14)15-7-5-6(10-2-9-5)11-3-12-7/h2-4H,1H3,(H,13,14)(H,9,10,11,12)/t4-/m0/s1

InChI Key

IZWZDXLHEAFSGF-BYPYZUCNSA-N

MDL Number (MFCD)

MFCD02675976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.042

Distribution Coefficient, logD

-3.185

Water Solubility, LogSw

-2.14

Polar Surface Area

71.214

Acid Dissociation Constant (pKa)

4.17

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y043-8142 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y043-8142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8142?
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What is the minimum amount of Y043-8142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8142
  • 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 Y043-8142 available by request