5547-0555 Screening compound: 4-[(E)-[2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 4-methoxybenzoate

5547-0555 Screening compound: 4-[(E)-[2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 4-methoxybenzoate
5547-0555 Screening compound: 4-[(E)-[2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5547-0555
4-[(E)-[2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 4-methoxybenzoate

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

5547-0555

Molecular Formula

C18H15N3O4S (C18 H15 N3 O4 S)

Compound Name

4-[(E)-[2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 4-methoxybenzoate

IUPAC name

4-[(E)-[2-(4-oxo-45-dihydro-13-thiazol-2-yl)hydrazin-1-ylidene]methyl]phenyl 4-methoxybenzoate

SMILES

COc(cc1)ccc1C(Oc1ccc(/C=N/NC(SC2)=NC2=O)cc1)=O

InChI

InChI=1S/C18H15N3O4S/c1-24-14-8-4-13(5-9-14)17(23)25-15-6-2-12(3-7-15)10-19-21-18-20-16(22)11-26-18/h2-10H,11H2,1H3,(H,20,21,22)

InChI Key

XSUNLQRXSSKUGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04553978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.609

Distribution Coefficient, logD

2.589

Water Solubility, LogSw

-2.94

Polar Surface Area

71.985

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 5547-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5547-0555?
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What is the minimum amount of 5547-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5547-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5547-0555
  • 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 5547-0555 available by request