4659-0068 Screening compound: 3-[(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

4659-0068 Screening compound: 3-[(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
4659-0068 Screening compound: 3-[(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4659-0068
3-[(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

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

4659-0068

Molecular Formula

C15H16N2O3S2 (C15 H16 N2 O3 S2)

Compound Name

3-[(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

3-[(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

CN(C)c1ccc(/C=C(/C(N2CCC(O)=O)=O)\SC2=S)cc1

InChI

InChI=1S/C15H16N2O3S2/c1-16(2)11-5-3-10(4-6-11)9-12-14(20)17(15(21)22-12)8-7-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)

InChI Key

GKOFEHBEXPYGCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00405572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.44

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

1.750

Distribution Coefficient, logD

-0.783

Water Solubility, LogSw

-2.24

Polar Surface Area

47.881

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

4659-0068 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4659-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4659-0068?
Check Price and Availability of 4659-0068, 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 4659-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4659-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4659-0068
  • 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 4659-0068 available by request