3584-0178 Screening compound: (5E)-5-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0178 Screening compound: (5E)-5-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0178 Screening compound: (5E)-5-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0178
(5E)-5-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-3-ethyl-2-sulfanylidene-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

3584-0178

Molecular Formula

C16H11ClFNO2S2 (C16 H11 ClFNO2 S2)

Compound Name

(5E)-5-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}-3-ethyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C\c2ccc(-c(cc3)cc(Cl)c3F)o2)=O)C1=S

InChI

InChI=1S/C16H11ClFNO2S2/c1-2-19-15(20)14(23-16(19)22)8-10-4-6-13(21-10)9-3-5-12(18)11(17)7-9/h3-8H,2H2,1H3

InChI Key

HDTULMGCFJWNAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

4.865

Water Solubility, LogSw

-4.98

Polar Surface Area

24.008

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3584-0178 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3584-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0178?
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What is the minimum amount of 3584-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0178
  • 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 3584-0178 available by request