3337-1607 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3337-1607 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3337-1607 Screening compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3337-1607
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazin-1-yl]-1,3-dimethyl-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

3337-1607

Molecular Formula

C25H28N6O5 (C25 H28 N6 O5)

Compound Name

7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

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

SMILES

C/C(/c(cc1)ccc1O)=N\Nc1nc(N(C)C(N(C)C2=O)=O)c2n1CC(COc1c(C)cccc1)O

InChI

InChI=1S/C25H28N6O5/c1-15-7-5-6-8-20(15)36-14-19(33)13-31-21-22(29(3)25(35)30(4)23(21)34)26-24(31)28-27-16(2)17-9-11-18(32)12-10-17/h5-12,19,32-33H,13-14H2,1-4H3,(H,26,28)/t19-/m0/s1

InChI Key

RIFADZNWLMPNBH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02729039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.35

Polar Surface Area

106.859

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

3337-1607 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Carbonic Anhydrase II Library (4939 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 3337-1607 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 3337-1607
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3337-1607
  • 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 3337-1607 available by request