4236-1057 Screening compound: 7-(2,3-dihydroxypropyl)-3-methyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-1057 Screening compound: 7-(2,3-dihydroxypropyl)-3-methyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-1057 Screening compound: 7-(2,3-dihydroxypropyl)-3-methyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-1057
7-(2,3-dihydroxypropyl)-3-methyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]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

4236-1057

Molecular Formula

C15H17N7O4 (C15 H17 N7 O4)

Compound Name

7-(2,3-dihydroxypropyl)-3-methyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-(23-dihydroxypropyl)-3-methyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CC(CO)O)c(N/N=C/c3cnccc3)n1)C2=O

InChI

InChI=1S/C15H17N7O4/c1-21-12-11(13(25)19-15(21)26)22(7-10(24)8-23)14(18-12)20-17-6-9-3-2-4-16-5-9/h2-6,10,23-24H,7-8H2,1H3,(H,18,20)(H,19,25,26)/t10-/m0/s1

InChI Key

JDTSMEJDNBYFLX-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02982168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.059

Distribution Coefficient, logD

-0.061

Water Solubility, LogSw

-1.17

Polar Surface Area

118.187

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

4236-1057 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 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 4236-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-1057
  • 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 4236-1057 available by request