3678-0291 Screening compound: N-cyclopentyl-2-{4-oxo-5-[(Z)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-3-yl}acetamide

3678-0291 Screening compound: N-cyclopentyl-2-{4-oxo-5-[(Z)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-3-yl}acetamide
3678-0291 Screening compound: N-cyclopentyl-2-{4-oxo-5-[(Z)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3678-0291
N-cyclopentyl-2-{4-oxo-5-[(Z)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-3-yl}acetamide

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

3678-0291

Molecular Formula

C17H18N2O2S2 (C17 H18 N2 O2 S2)

Compound Name

N-cyclopentyl-2-{4-oxo-5-[(Z)-1-phenylmethylidene]-2-thioxo-1,3-thiazolan-3-yl}acetamide

IUPAC name

N-cyclopentyl-2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-13-thiazolidin-3-yl]acetamide

SMILES

O=C(CN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)NC1CCCC1

InChI

InChI=1S/C17H18N2O2S2/c20-15(18-13-8-4-5-9-13)11-19-16(21)14(23-17(19)22)10-12-6-2-1-3-7-12/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,18,20)

InChI Key

FDRSPBRXRZCLOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.38

Polar Surface Area

41.005

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

3678-0291 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 3678-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3678-0291?
Check Price and Availability of 3678-0291, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3678-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3678-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3678-0291
  • 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 3678-0291 available by request