8020-6605 Screening compound: 1-{3,4-dihydroxy-5-[(trityloxy)methyl]tetrahydro-2-furanyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

8020-6605 Screening compound: 1-{3,4-dihydroxy-5-[(trityloxy)methyl]tetrahydro-2-furanyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
8020-6605 Screening compound: 1-{3,4-dihydroxy-5-[(trityloxy)methyl]tetrahydro-2-furanyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6605
1-{3,4-dihydroxy-5-[(trityloxy)methyl]tetrahydro-2-furanyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

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

8020-6605

Molecular Formula

C28H26N2O5S (C28 H26 N2 O5 S)

Compound Name

1-{3,4-dihydroxy-5-[(trityloxy)methyl]tetrahydro-2-furanyl}-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

IUPAC name

1-{34-dihydroxy-5-[(triphenylmethoxy)methyl]oxolan-2-yl}-2-sulfanylidene-1234-tetrahydropyrimidin-4-one

SMILES

OC(C(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC1N(C=CC(N2)=O)C2=S)C1O

InChI

InChI=1S/C28H26N2O5S/c31-23-16-17-30(27(36)29-23)26-25(33)24(32)22(35-26)18-34-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24-26,32-33H,18H2,(H,29,31,36)

InChI Key

DPTFURUZUAETMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26098423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.231

Distribution Coefficient, logD

4.230

Water Solubility, LogSw

-4.16

Polar Surface Area

72.599

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-5.83

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

21.43

8020-6605 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-6605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6605?
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What is the minimum amount of 8020-6605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6605
  • 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 8020-6605 available by request