3330-5049 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3330-5049 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3330-5049 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-5049
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(2E)-2-(phenylmethylidene)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

3330-5049

Molecular Formula

C23H24N6O4 (C23 H24 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCC(Cn1c(N/N=C/c2ccccc2)nc(N(C)C(N2)=O)c1C2=O)O

InChI

InChI=1S/C23H24N6O4/c1-15-8-6-7-11-18(15)33-14-17(30)13-29-19-20(28(2)23(32)26-21(19)31)25-22(29)27-24-12-16-9-4-3-5-10-16/h3-12,17,30H,13-14H2,1-2H3,(H,25,27)(H,26,31,32)/t17-/m0/s1

InChI Key

FHZXHBLJVVWHKE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01875622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

3.947

Water Solubility, LogSw

-4.08

Polar Surface Area

98.868

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

3330-5049 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 3330-5049 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3330-5049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-5049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-5049
  • 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 3330-5049 available by request