6163-4368 Screening compound: (5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

6163-4368 Screening compound: (5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
6163-4368 Screening compound: (5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6163-4368
(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(piperidin-1-yl)-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

6163-4368

Molecular Formula

C16H16N2O3S (C16 H16 N2 O3 S)

Compound Name

(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5Z)-5-[(2H-13-benzodioxol-5-yl)methylidene]-2-(piperidin-1-yl)-45-dihydro-13-thiazol-4-one

SMILES

O=C1N=C(N2CCCCC2)S/C1=C\c(cc1)cc2c1OCO2

InChI

InChI=1S/C16H16N2O3S/c19-15-14(22-16(17-15)18-6-2-1-3-7-18)9-11-4-5-12-13(8-11)21-10-20-12/h4-5,8-9H,1-3,6-7,10H2

InChI Key

YXQMKUXWDVMKJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.094

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.25

Polar Surface Area

42.711

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6163-4368 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6163-4368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6163-4368?
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What is the minimum amount of 6163-4368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6163-4368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6163-4368
  • 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 6163-4368 available by request