4550-0044 Screening compound: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4550-0044 Screening compound: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4550-0044 Screening compound: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-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 4550-0044
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-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

4550-0044

Molecular Formula

C23H25N7O5 (C23 H25 N7 O5)

Compound Name

7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-13-dimethyl-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CC(COc(cc3)ccc3OC)O)c(N/N=C/c3cnccc3)n1)C2=O

InChI

InChI=1S/C23H25N7O5/c1-28-20-19(21(32)29(2)23(28)33)30(22(26-20)27-25-12-15-5-4-10-24-11-15)13-16(31)14-35-18-8-6-17(34-3)7-9-18/h4-12,16,31H,13-14H2,1-3H3,(H,26,27)/t16-/m0/s1

InChI Key

GRFGGNPMGJMPKR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03938118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-2.81

Polar Surface Area

106.929

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

4550-0044 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 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 4550-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4550-0044?
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What is the minimum amount of 4550-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4550-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4550-0044
  • 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 4550-0044 available by request