8008-3628 Screening compound: (5E)-2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one

8008-3628 Screening compound: (5E)-2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one
8008-3628 Screening compound: (5E)-2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3628
(5E)-2-(azepan-1-yl)-5-[(3,4-dimethoxyphenyl)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

8008-3628

Molecular Formula

C18H22N2O3S (C18 H22 N2 O3 S)

Compound Name

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

IUPAC name

(5E)-2-(azepan-1-yl)-5-[(34-dimethoxyphenyl)methylidene]-45-dihydro-13-thiazol-4-one

SMILES

COc(ccc(/C=C1/SC(N2CCCCCC2)=NC1=O)c1)c1OC

InChI

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

InChI Key

NYVZRBBHPIUTQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01306085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.49

Polar Surface Area

41.187

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8008-3628 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8008-3628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3628?
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What is the minimum amount of 8008-3628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3628
  • 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 8008-3628 available by request