3330-5064 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3330-5064 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3330-5064 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-5064
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-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

3330-5064

Molecular Formula

C23H24N6O5 (C23 H24 N6 O5)

Compound Name

7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc(cccc1)c1OCC(Cn1c(N/N=C/c(cccc2)c2O)nc(N(C)C(N2)=O)c1C2=O)O

InChI

InChI=1S/C23H24N6O5/c1-14-7-3-6-10-18(14)34-13-16(30)12-29-19-20(28(2)23(33)26-21(19)32)25-22(29)27-24-11-15-8-4-5-9-17(15)31/h3-11,16,30-31H,12-13H2,1-2H3,(H,25,27)(H,26,32,33)/t16-/m0/s1

InChI Key

PCAFSROOGQQYQQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01878318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.056

Water Solubility, LogSw

-3.84

Polar Surface Area

115.416

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

3330-5064 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 3330-5064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-5064?
Check Price and Availability of 3330-5064, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3330-5064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-5064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-5064
  • 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 3330-5064 available by request