S001-0003 Screening compound: 2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl methanesulfonate

S001-0003 Screening compound: 2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl methanesulfonate
S001-0003 Screening compound: 2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound S001-0003
2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl 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

S001-0003

Molecular Formula

C32H34N2O9S (C32 H34 N2 O9 S)

Compound Name

2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl methanesulfonate

IUPAC name

2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-24-dioxo-1234-tetrahydropyrimidin-1-yl)oxolan-3-yl methanesulfonate

SMILES

CC(C(N1)=O)=CN(C(C2)OC(COC(c3ccccc3)(c(cc3)ccc3OC)c(cc3)ccc3OC)C2OS(C)(=O)=O)C1=O

InChI

InChI=1S/C32H34N2O9S/c1-21-19-34(31(36)33-30(21)35)29-18-27(43-44(4,37)38)28(42-29)20-41-32(22-8-6-5-7-9-22,23-10-14-25(39-2)15-11-23)24-12-16-26(40-3)17-13-24/h5-17,19,27-29H,18,20H2,1-4H3,(H,33,35,36)

InChI Key

CSSBLGFIJWFQNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01325863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.7

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.26

Polar Surface Area

105.931

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.30

S001-0003 in Drug Discovery

Included in Screening Libraries

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 S001-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S001-0003?
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What is the minimum amount of S001-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S001-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S001-0003
  • 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 S001-0003 available by request