5547-0605 Screening compound: 2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one

5547-0605 Screening compound: 2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one
5547-0605 Screening compound: 2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5547-0605
2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one

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

5547-0605

Molecular Formula

C9H9N3O2S (C9 H9 N3 O2 S)

Compound Name

2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

2-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazin-1-yl]-45-dihydro-13-thiazol-4-one

SMILES

Cc1ccc(/C=N/NC(SC2)=NC2=O)o1

InChI

InChI=1S/C9H9N3O2S/c1-6-2-3-7(14-6)4-10-12-9-11-8(13)5-15-9/h2-4H,5H2,1H3,(H,11,12,13)

InChI Key

LWOCSDWLGRRMNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.594

Distribution Coefficient, logD

1.593

Water Solubility, LogSw

-2.36

Polar Surface Area

51.326

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5547-0605 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 5547-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5547-0605?
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What is the minimum amount of 5547-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5547-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5547-0605
  • 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 5547-0605 available by request