1232-0019 Screening compound: ({[6-(6-hydroxy-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}sulfanyl)carbonitrile

1232-0019 Screening compound: ({[6-(6-hydroxy-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}sulfanyl)carbonitrile
1232-0019 Screening compound: ({[6-(6-hydroxy-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}sulfanyl)carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1232-0019
({[6-(6-hydroxy-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}sulfanyl)carbonitrile

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

1232-0019

Molecular Formula

C14H15N5O4S (C14 H15 N5 O4 S)

Compound Name

({[6-(6-hydroxy-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}sulfanyl)carbonitrile

IUPAC name

({[6-(6-hydroxy-9H-purin-9-yl)-22-dimethyl-tetrahydro-2H-furo[34-d][13]dioxol-4-yl]methyl}sulfanyl)carbonitrile

SMILES

CC1(C)OC2C(n3c4ncnc(O)c4nc3)OC(CSC#N)C2O1

InChI

InChI=1S/C14H15N5O4S/c1-14(2)22-9-7(3-24-4-15)21-13(10(9)23-14)19-6-18-8-11(19)16-5-17-12(8)20/h5-7,9-10,13H,3H2,1-2H3,(H,16,17,20)

InChI Key

UJZXMKHHQDKVRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.670

Distribution Coefficient, logD

0.068

Water Solubility, LogSw

-1.48

Polar Surface Area

91.382

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.10

1232-0019 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Nucleoside Mimetics Library (2197 compounds)

STING Agonist Library (5895 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1232-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1232-0019?
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What is the minimum amount of 1232-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1232-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1232-0019
  • 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 1232-0019 available by request