2109-0278 Screening compound: 3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)propanamide

2109-0278 Screening compound: 3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)propanamide
2109-0278 Screening compound: 3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2109-0278
3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)propanamide

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

2109-0278

Molecular Formula

C18H14FN3O2S2 (C18 H14 FN3 O2 S2)

Compound Name

3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(pyridin-3-yl)propanamide

IUPAC name

3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-(pyridin-3-yl)propanamide

SMILES

O=C(CCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S)Nc1cnccc1

InChI

InChI=1S/C18H14FN3O2S2/c19-13-5-3-12(4-6-13)10-15-17(24)22(18(25)26-15)9-7-16(23)21-14-2-1-8-20-11-14/h1-6,8,10-11H,7,9H2,(H,21,23)

InChI Key

REPNFMFZIMCGLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-3.10

Polar Surface Area

49.088

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2109-0278 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2109-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2109-0278?
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What is the minimum amount of 2109-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2109-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2109-0278
  • 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 2109-0278 available by request