4719-0068 Screening compound: (5Z)-2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one

4719-0068 Screening compound: (5Z)-2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one
4719-0068 Screening compound: (5Z)-2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4719-0068
(5Z)-2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-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

4719-0068

Molecular Formula

C18H22N2O3S (C18 H22 N2 O3 S)

Compound Name

(5Z)-2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5Z)-2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-45-dihydro-13-thiazol-4-one

SMILES

CCOc(cc(/C=C1\SC(N2CCCCCC2)=NC1=O)cc1)c1O

InChI

InChI=1S/C18H22N2O3S/c1-2-23-15-11-13(7-8-14(15)21)12-16-17(22)19-18(24-16)20-9-5-3-4-6-10-20/h7-8,11-12,21H,2-6,9-10H2,1H3

InChI Key

IELMFUMWMDZDCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.33

Polar Surface Area

49.685

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 4719-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4719-0068?
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What is the minimum amount of 4719-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4719-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4719-0068
  • 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 4719-0068 available by request