2516-4819 Screening compound: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-{2-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

2516-4819 Screening compound: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-{2-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
2516-4819 Screening compound: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-{2-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2516-4819
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-{2-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-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

2516-4819

Molecular Formula

C23H21N7O5 (C23 H21 N7 O5)

Compound Name

7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-{2-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-{2-[(3E)-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CC(COc3ccccc3)O)c(N/N=C(\c(cccc3)c3N3)/C3=O)n1)C2=O

InChI

InChI=1S/C23H21N7O5/c1-29-19-18(21(33)26-23(29)34)30(11-13(31)12-35-14-7-3-2-4-8-14)22(25-19)28-27-17-15-9-5-6-10-16(15)24-20(17)32/h2-10,13,31H,11-12H2,1H3,(H,25,28)(H,24,27,32)(H,26,33,34)/t13-/m0/s1

InChI Key

YVYASQSUQMXPED-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01051192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.755

Distribution Coefficient, logD

2.753

Water Solubility, LogSw

-3.53

Polar Surface Area

122.591

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

2516-4819 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2516-4819 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2516-4819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-4819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-4819
  • 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 2516-4819 available by request