3330-5053 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3330-5053 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3330-5053 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(4-methoxyphenyl)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 3330-5053
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(4-methoxyphenyl)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

3330-5053

Molecular Formula

C24H26N6O5 (C24 H26 N6 O5)

Compound Name

7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc(cccc1)c1OCC(Cn1c(N/N=C/c(cc2)ccc2OC)nc(N(C)C(N2)=O)c1C2=O)O

InChI

InChI=1S/C24H26N6O5/c1-15-6-4-5-7-19(15)35-14-17(31)13-30-20-21(29(2)24(33)27-22(20)32)26-23(30)28-25-12-16-8-10-18(34-3)11-9-16/h4-12,17,31H,13-14H2,1-3H3,(H,26,28)(H,27,32,33)/t17-/m0/s1

InChI Key

XQULEUQSCZOEEF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01876759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.927

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.20

Polar Surface Area

106.412

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3330-5053 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 3330-5053 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3330-5053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-5053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-5053
  • 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 3330-5053 available by request