3601-0726 Screening compound: (5Z)-3-(4-fluorophenyl)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

3601-0726 Screening compound: (5Z)-3-(4-fluorophenyl)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
3601-0726 Screening compound: (5Z)-3-(4-fluorophenyl)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0726
(5Z)-3-(4-fluorophenyl)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-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

3601-0726

Molecular Formula

C15H11FN2OS2 (C15 H11 FN2 OS2)

Compound Name

(5Z)-3-(4-fluorophenyl)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-(4-fluorophenyl)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-13-thiazolidin-4-one

SMILES

Cc1c(/C=C(/C(N2c(cc3)ccc3F)=O)\SC2=N)scc1

InChI

InChI=1S/C15H11FN2OS2/c1-9-6-7-20-12(9)8-13-14(19)18(15(17)21-13)11-4-2-10(16)3-5-11/h2-8,17H,1H3

InChI Key

JMVBZSIAWHLFTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.569

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-3.76

Polar Surface Area

34.387

Acid Dissociation Constant (pKa)

28.49

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

3601-0726 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 3601-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0726?
Check Price and Availability of 3601-0726, 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 3601-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0726
  • 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 3601-0726 available by request