3253-7954 Screening compound: 1-({N'-[(E)-(5-methylfuran-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium

3253-7954 Screening compound: 1-({N'-[(E)-(5-methylfuran-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium
3253-7954 Screening compound: 1-({N'-[(E)-(5-methylfuran-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-7954
1-({N'-[(E)-(5-methylfuran-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium

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

3253-7954

Molecular Formula

C13H14N3O2 (C13 H14 N3 O2)

Compound Name

1-({N'-[(E)-(5-methylfuran-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium

IUPAC name

1-({N'-[(E)-(5-methylfuran-2-yl)methylidene]hydrazinecarbonyl}methyl)pyridin-1-ium

SMILES

Cc1ccc(/C=N/NC(C[n+]2ccccc2)=O)o1

InChI

InChI=1S/C13H13N3O2/c1-11-5-6-12(18-11)9-14-15-13(17)10-16-7-3-2-4-8-16/h2-9H,10H2,1H3/p+1

InChI Key

BONLKAHKBBYGNZ-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD02926874

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

244.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.584

Distribution Coefficient, logD

1.584

Water Solubility, LogSw

-2.16

Polar Surface Area

45.668

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3253-7954 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3253-7954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-7954?
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What is the minimum amount of 3253-7954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-7954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-7954
  • 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 3253-7954 available by request