4476-3015 Screening compound: N-[(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

4476-3015 Screening compound: N-[(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
4476-3015 Screening compound: N-[(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-3015
N-[(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

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

4476-3015

Molecular Formula

C18H13N3O2S2 (C18 H13 N3 O2 S2)

Compound Name

N-[(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

IUPAC name

N-[(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-13-thiazolidin-3-yl]pyridine-4-carboxamide

SMILES

O=C(c1ccncc1)NN(C(/C(/S1)=C/C=C/c2ccccc2)=O)C1=S

InChI

InChI=1S/C18H13N3O2S2/c22-16(14-9-11-19-12-10-14)20-21-17(23)15(25-18(21)24)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,22)

InChI Key

SKVYQQGGXSNAQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03461352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.528

Distribution Coefficient, logD

1.845

Water Solubility, LogSw

-2.66

Polar Surface Area

52.272

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4476-3015 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4476-3015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-3015?
Check Price and Availability of 4476-3015, 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 4476-3015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-3015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-3015
  • 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 4476-3015 available by request