8016-6752 Screening compound: 5-{[4-(ethoxycarbonyl)piperidino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

8016-6752 Screening compound: 5-{[4-(ethoxycarbonyl)piperidino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
8016-6752 Screening compound: 5-{[4-(ethoxycarbonyl)piperidino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6752
5-{[4-(ethoxycarbonyl)piperidino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

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

8016-6752

Molecular Formula

C14H19N3O6 (C14 H19 N3 O6)

Compound Name

5-{[4-(ethoxycarbonyl)piperidino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

IUPAC name

5-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-26-dioxo-1236-tetrahydropyrimidine-4-carboxylic acid

SMILES

CCOC(C1CCN(CC(C(N2)=O)=C(C(O)=O)NC2=O)CC1)=O

InChI

InChI=1S/C14H19N3O6/c1-2-23-13(21)8-3-5-17(6-4-8)7-9-10(12(19)20)15-14(22)16-11(9)18/h8H,2-7H2,1H3,(H,19,20)(H2,15,16,18,22)

InChI Key

OUZYNIYEJKWUJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.533

Distribution Coefficient, logD

-0.533

Water Solubility, LogSw

-1.51

Polar Surface Area

102.168

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

8016-6752 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-6752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6752?
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What is the minimum amount of 8016-6752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6752
  • 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 8016-6752 available by request