8013-0144 Screening compound: (5E)-2-(4-benzylpiperidin-1-yl)-5-[(2,4-dimethoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one

8013-0144 Screening compound: (5E)-2-(4-benzylpiperidin-1-yl)-5-[(2,4-dimethoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one
8013-0144 Screening compound: (5E)-2-(4-benzylpiperidin-1-yl)-5-[(2,4-dimethoxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0144
(5E)-2-(4-benzylpiperidin-1-yl)-5-[(2,4-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

8013-0144

Molecular Formula

C24H26N2O3S (C24 H26 N2 O3 S)

Compound Name

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

IUPAC name

(5E)-2-(4-benzylpiperidin-1-yl)-5-[(24-dimethoxyphenyl)methylidene]-45-dihydro-13-thiazol-4-one

SMILES

COc1cc(OC)c(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1

InChI

InChI=1S/C24H26N2O3S/c1-28-20-9-8-19(21(16-20)29-2)15-22-23(27)25-24(30-22)26-12-10-18(11-13-26)14-17-6-4-3-5-7-17/h3-9,15-16,18H,10-14H2,1-2H3

InChI Key

SBNUKZJDKFGFNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.355

Distribution Coefficient, logD

5.355

Water Solubility, LogSw

-5.46

Polar Surface Area

40.498

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8013-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0144?
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What is the minimum amount of 8013-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0144
  • 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 8013-0144 available by request