2141-0183 Screening compound: (5Z)-5-[(furan-2-yl)methylidene]-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one

2141-0183 Screening compound: (5Z)-5-[(furan-2-yl)methylidene]-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
2141-0183 Screening compound: (5Z)-5-[(furan-2-yl)methylidene]-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2141-0183
(5Z)-5-[(furan-2-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

2141-0183

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1N=C(N2CCCCC2)S/C1=C\c1ccco1

InChI

InChI=1S/C13H14N2O2S/c16-12-11(9-10-5-4-8-17-10)18-13(14-12)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2

InChI Key

MMKZLNXSJAGPGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00683345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.458

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.46

Polar Surface Area

33.344

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

2141-0183 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2141-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2141-0183?
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What is the minimum amount of 2141-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2141-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2141-0183
  • 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 2141-0183 available by request