4491-2014 Screening compound: N-(4-methylphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide

4491-2014 Screening compound: N-(4-methylphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide
4491-2014 Screening compound: N-(4-methylphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-2014
N-(4-methylphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide

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

4491-2014

Molecular Formula

C19H18N2O2S3 (C19 H18 N2 O2 S3)

Compound Name

N-(4-methylphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanamide

IUPAC name

N-(4-methylphenyl)-4-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-13-thiazolidin-3-yl]butanamide

SMILES

Cc(cc1)ccc1NC(CCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)=O

InChI

InChI=1S/C19H18N2O2S3/c1-13-6-8-14(9-7-13)20-17(22)5-2-10-21-18(23)16(26-19(21)24)12-15-4-3-11-25-15/h3-4,6-9,11-12H,2,5,10H2,1H3,(H,20,22)

InChI Key

XEMPPVGHDOEPCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02655273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-3.89

Polar Surface Area

40.588

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 4491-2014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-2014?
Check Price and Availability of 4491-2014, 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 4491-2014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-2014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-2014
  • 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 4491-2014 available by request