3584-0678 Screening compound: methyl 2-(5-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

3584-0678 Screening compound: methyl 2-(5-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
3584-0678 Screening compound: methyl 2-(5-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0678
methyl 2-(5-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

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

3584-0678

Molecular Formula

C23H17NO4S2 (C23 H17 NO4 S2)

Compound Name

methyl 2-(5-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

methyl 2-(5-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

SMILES

COC(c(cccc1)c1-c1ccc(/C=C(\C(N2Cc3ccccc3)=O)/SC2=S)o1)=O

InChI

InChI=1S/C23H17NO4S2/c1-27-22(26)18-10-6-5-9-17(18)19-12-11-16(28-19)13-20-21(25)24(23(29)30-20)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3

InChI Key

DSLGGWUUDXOOTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.19

Polar Surface Area

45.186

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3584-0678 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Integrin Receptors Targeted library (1715 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 3584-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0678?
Check Price and Availability of 3584-0678, 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 3584-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0678
  • 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 3584-0678 available by request