8016-5979 Screening compound: 5-{[4-(3-chlorophenyl)piperazino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

8016-5979 Screening compound: 5-{[4-(3-chlorophenyl)piperazino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
8016-5979 Screening compound: 5-{[4-(3-chlorophenyl)piperazino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5979
5-{[4-(3-chlorophenyl)piperazino]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

8016-5979

Molecular Formula

C16H17ClN4O4 (C16 H17 ClN4 O4)

Compound Name

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

IUPAC name

5-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-26-dioxo-1236-tetrahydropyrimidine-4-carboxylic acid

SMILES

OC(C(NC(N1)=O)=C(CN(CC2)CCN2c2cccc(Cl)c2)C1=O)=O

InChI

InChI=1S/C16H17ClN4O4/c17-10-2-1-3-11(8-10)21-6-4-20(5-7-21)9-12-13(15(23)24)18-16(25)19-14(12)22/h1-3,8H,4-7,9H2,(H,23,24)(H2,18,19,22,25)

InChI Key

PCKZOBFYOOKGNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.702

Distribution Coefficient, logD

-2.834

Water Solubility, LogSw

-2.43

Polar Surface Area

84.675

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

8016-5979 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8016-5979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5979?
Check Price and Availability of 8016-5979, 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 8016-5979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5979
  • 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 8016-5979 available by request