1496-0037 Screening compound: [4-chloro-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate

1496-0037 Screening compound: [4-chloro-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
1496-0037 Screening compound: [4-chloro-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1496-0037
[4-chloro-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate

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

1496-0037

Molecular Formula

C16H15ClN2O6 (C16 H15 ClN2 O6)

Compound Name

[4-chloro-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate

IUPAC name

[4-chloro-5-(24-dioxo-1234-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate

SMILES

OC(C(COC(c1ccccc1)=O)OC1N(C=CC(N2)=O)C2=O)C1Cl

InChI

InChI=1S/C16H15ClN2O6/c17-12-13(21)10(8-24-15(22)9-4-2-1-3-5-9)25-14(12)19-7-6-11(20)18-16(19)23/h1-7,10,12-14,21H,8H2,(H,18,20,23)

InChI Key

RYHDUKPCPIZKRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00856707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.76

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.410

Distribution Coefficient, logD

1.409

Water Solubility, LogSw

-1.72

Polar Surface Area

85.252

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.30

1496-0037 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1496-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1496-0037?
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What is the minimum amount of 1496-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1496-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1496-0037
  • 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 1496-0037 available by request