3254-0636 Screening compound: N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide

3254-0636 Screening compound: N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide
3254-0636 Screening compound: N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-0636
N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide

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

3254-0636

Molecular Formula

C17H17BrN6O5 (C17 H17 BrN6 O5)

Compound Name

N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide

IUPAC name

N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetohydrazide

SMILES

CN(c1c(C(N2C)=O)n(CC(N/N=C\c(cc3OC)cc(Br)c3O)=O)cn1)C2=O

InChI

InChI=1S/C17H17BrN6O5/c1-22-15-13(16(27)23(2)17(22)28)24(8-19-15)7-12(25)21-20-6-9-4-10(18)14(26)11(5-9)29-3/h4-6,8,26H,7H2,1-3H3,(H,21,25)

InChI Key

CJUCJJZRLWWYES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02076867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.26

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.661

Distribution Coefficient, logD

0.612

Water Solubility, LogSw

-1.72

Polar Surface Area

101.444

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3254-0636 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3254-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-0636?
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What is the minimum amount of 3254-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-0636
  • 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 3254-0636 available by request