S001-0014 Screening compound: N-(1-{3-[(tert-butyldimethylsilyl)oxy]-4-hydroxy-5-{[(4-methoxyphenyl)diphenylmethoxy]methyl}oxolan-2-yl}-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide

S001-0014 Screening compound: N-(1-{3-[(tert-butyldimethylsilyl)oxy]-4-hydroxy-5-{[(4-methoxyphenyl)diphenylmethoxy]methyl}oxolan-2-yl}-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
S001-0014 Screening compound: N-(1-{3-[(tert-butyldimethylsilyl)oxy]-4-hydroxy-5-{[(4-methoxyphenyl)diphenylmethoxy]methyl}oxolan-2-yl}-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S001-0014
N-(1-{3-[(tert-butyldimethylsilyl)oxy]-4-hydroxy-5-{[(4-methoxyphenyl)diphenylmethoxy]methyl}oxolan-2-yl}-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide

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

S001-0014

Molecular Formula

C42H47N3O7Si (C42 H47 N3 O7 Si)

Compound Name

N-(1-{3-[(tert-butyldimethylsilyl)oxy]-4-hydroxy-5-{[(4-methoxyphenyl)diphenylmethoxy]methyl}oxolan-2-yl}-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide

IUPAC name

N-(1-{3-[(tert-butyldimethylsilyl)oxy]-4-hydroxy-5-{[(4-methoxyphenyl)diphenylmethoxy]methyl}oxolan-2-yl}-2-oxo-12-dihydropyrimidin-4-yl)benzamide

SMILES

CC(C)(C)[Si](C)(C)OC1C(N(C=CC(NC(c2ccccc2)=O)=N2)C2=O)OC(COC(c2ccccc2)(c2ccccc2)c(cc2)ccc2OC)C1O

InChI

InChI=1S/C42H47N3O7Si/c1-41(2,3)53(5,6)52-37-36(46)34(51-39(37)45-27-26-35(44-40(45)48)43-38(47)29-16-10-7-11-17-29)28-50-42(30-18-12-8-13-19-30,31-20-14-9-15-21-31)32-22-24-33(49-4)25-23-32/h7-27,34,36-37,39,46H,28H2,1-6H3,(H,43,44,47,48)

InChI Key

AFDGXIKNRXDUSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

733.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

8.390

Distribution Coefficient, logD

8.133

Water Solubility, LogSw

-5.92

Polar Surface Area

94.540

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.00

S001-0014 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 S001-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S001-0014?
Check Price and Availability of S001-0014, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S001-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S001-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S001-0014
  • 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 S001-0014 available by request