3254-0660 Screening compound: N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide

3254-0660 Screening compound: N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide
3254-0660 Screening compound: N'-[(E)-(5-bromothiophen-2-yl)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 3254-0660
N'-[(E)-(5-bromothiophen-2-yl)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

3254-0660

Molecular Formula

C14H13BrN6O3S (C14 H13 BrN6 O3 S)

Compound Name

N'-[(E)-(5-bromothiophen-2-yl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetohydrazide

IUPAC name

N'-[(E)-(5-bromothiophen-2-yl)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(s3)ccc3Br)=O)cn1)C2=O

InChI

InChI=1S/C14H13BrN6O3S/c1-19-12-11(13(23)20(2)14(19)24)21(7-16-12)6-10(22)18-17-5-8-3-4-9(15)25-8/h3-5,7H,6H2,1-2H3,(H,18,22)

InChI Key

IHTQYTMZLWFFFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02076891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.470

Distribution Coefficient, logD

1.470

Water Solubility, LogSw

-2.51

Polar Surface Area

79.353

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3254-0660 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3254-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-0660?
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What is the minimum amount of 3254-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-0660
  • 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 3254-0660 available by request