1232-0028 Screening compound: [6-(6-hydroxy-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate

1232-0028 Screening compound: [6-(6-hydroxy-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate
1232-0028 Screening compound: [6-(6-hydroxy-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1232-0028
[6-(6-hydroxy-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl methanesulfonate

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

1232-0028

Molecular Formula

C14H18N4O7S (C14 H18 N4 O7 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 methanesulfonate

IUPAC name

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

SMILES

CC1(C)OC2C(n3c4ncnc(O)c4nc3)OC(COS(C)(=O)=O)C2O1

InChI

InChI=1S/C14H18N4O7S/c1-14(2)24-9-7(4-22-26(3,20)21)23-13(10(9)25-14)18-6-17-8-11(18)15-5-16-12(8)19/h5-7,9-10,13H,4H2,1-3H3,(H,15,16,19)

InChI Key

BIHMALHFZFJBCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.412

Distribution Coefficient, logD

-1.014

Water Solubility, LogSw

-1.36

Polar Surface Area

111.061

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

64.30

1232-0028 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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

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

References: we are preparing a list of scientific research reports with 1232-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1232-0028?
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What is the minimum amount of 1232-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1232-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1232-0028
  • 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 1232-0028 available by request