8008-3669 Screening compound: (5Z)-2-(azepan-1-yl)-5-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one

8008-3669 Screening compound: (5Z)-2-(azepan-1-yl)-5-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one
8008-3669 Screening compound: (5Z)-2-(azepan-1-yl)-5-[(4-methoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3669
(5Z)-2-(azepan-1-yl)-5-[(4-methoxyphenyl)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

8008-3669

Molecular Formula

C17H20N2O2S (C17 H20 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1

InChI

InChI=1S/C17H20N2O2S/c1-21-14-8-6-13(7-9-14)12-15-16(20)18-17(22-15)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3

InChI Key

XVNIREYOHAWVPY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.81

Polar Surface Area

33.470

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 8008-3669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3669?
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What is the minimum amount of 8008-3669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3669
  • 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 8008-3669 available by request