8020-2747 Screening compound: 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

8020-2747 Screening compound: 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
8020-2747 Screening compound: 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2747
5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic 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

8020-2747

Molecular Formula

C5H3N3O6 (C5 H3 N3 O6)

Compound Name

5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

IUPAC name

5-nitro-26-dioxo-1236-tetrahydropyrimidine-4-carboxylic acid

SMILES

[O-][N+](C(C(N1)=O)=C(C(O)=O)NC1=O)=O

InChI

InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)

InChI Key

OPGJGRWULGFTOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00102613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.1

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.360

Distribution Coefficient, logD

-6.977

Water Solubility, LogSw

-1.51

Polar Surface Area

110.982

Acid Dissociation Constant (pKa)

1.78

Base Dissociation Constant (pKb)

-7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-2747 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8020-2747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2747?
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What is the minimum amount of 8020-2747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2747
  • 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 8020-2747 available by request