8019-4263 Screening compound: 4-(9H-purin-6-ylsulfanyl)but-2-yn-1-ol

8019-4263 Screening compound: 4-(9H-purin-6-ylsulfanyl)but-2-yn-1-ol
8019-4263 Screening compound: 4-(9H-purin-6-ylsulfanyl)but-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4263
4-(9H-purin-6-ylsulfanyl)but-2-yn-1-ol

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

8019-4263

Molecular Formula

C9H8N4OS (C9 H8 N4 OS)

Compound Name

4-(9H-purin-6-ylsulfanyl)but-2-yn-1-ol

IUPAC name

4-(9H-purin-6-ylsulfanyl)but-2-yn-1-ol

SMILES

OCC#CCSc1ncnc2c1nc[nH]2

InChI

InChI=1S/C9H8N4OS/c14-3-1-2-4-15-9-7-8(11-5-10-7)12-6-13-9/h5-6,14H,3-4H2,(H,10,11,12,13)

InChI Key

SGTPHYCOZVQUCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08706587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.298

Distribution Coefficient, logD

0.298

Water Solubility, LogSw

-1.99

Polar Surface Area

59.462

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8019-4263 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8019-4263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4263?
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What is the minimum amount of 8019-4263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4263
  • 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 8019-4263 available by request