3289-1724 Screening compound: 2,6-bis(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

3289-1724 Screening compound: 2,6-bis(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
3289-1724 Screening compound: 2,6-bis(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3289-1724
2,6-bis(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

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

3289-1724

Molecular Formula

C18H8N6O8 (C18 H8 N6 O8)

Compound Name

2,6-bis(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

IUPAC name

26-bis(24-dioxo-1234-tetrahydropyrimidin-5-yl)-1H2H3H5H6H7H-pyrrolo[34-f]isoindole-1357-tetrone

SMILES

O=C(c(c(C1=O)c2)cc(C(N3C(C(N4)=O)=CNC4=O)=O)c2C3=O)N1C(C(N1)=O)=CNC1=O

InChI

InChI=1S/C18H8N6O8/c25-11-9(3-19-17(31)21-11)23-13(27)5-1-6-8(2-7(5)15(23)29)16(30)24(14(6)28)10-4-20-18(32)22-12(10)26/h1-4H,(H2,19,21,25,31)(H2,20,22,26,32)

InChI Key

SYIBYMAPHBMHLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00325616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.3

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

-2.193

Distribution Coefficient, logD

-3.928

Water Solubility, LogSw

-1.99

Polar Surface Area

154.518

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

-7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3289-1724 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3289-1724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3289-1724?
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What is the minimum amount of 3289-1724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3289-1724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3289-1724
  • 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 3289-1724 available by request