8018-2450 Screening compound: 6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

8018-2450 Screening compound: 6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
8018-2450 Screening compound: 6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2450
6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

8018-2450

Molecular Formula

C17H12N6O6 (C17 H12 N6 O6)

Compound Name

6-amino-5-[6-(2H-1,3-benzodioxol-5-yl)-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-amino-5-[6-(2H-13-benzodioxol-5-yl)-24-dioxo-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-5-yl]-1234-tetrahydropyrimidine-24-dione

SMILES

NC(NC(N1)=O)=C(c2c(-c(cc3)cc4c3OCO4)[nH]c(NC(N3)=O)c2C3=O)C1=O

InChI

InChI=1S/C17H12N6O6/c18-12-9(14(24)22-16(26)20-12)8-10-13(21-17(27)23-15(10)25)19-11(8)5-1-2-6-7(3-5)29-4-28-6/h1-3H,4H2,(H4,18,20,22,24,26)(H3,19,21,23,25,27)

InChI Key

LUIKQISTHRJSLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

7.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.320

Distribution Coefficient, logD

-0.336

Water Solubility, LogSw

-2.04

Polar Surface Area

146.881

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8018-2450 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-2450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2450?
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What is the minimum amount of 8018-2450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2450
  • 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 8018-2450 available by request