4670-0315 Screening compound: 3-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

4670-0315 Screening compound: 3-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
4670-0315 Screening compound: 3-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4670-0315
3-[(5E)-5-[(2,5-dimethoxyphenyl)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

4670-0315

Molecular Formula

C15H15NO5S2 (C15 H15 NO5 S2)

Compound Name

3-[(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

3-[(5E)-5-[(25-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

COc(cc1)cc(/C=C(\C(N2CCC(O)=O)=O)/SC2=S)c1OC

InChI

InChI=1S/C15H15NO5S2/c1-20-10-3-4-11(21-2)9(7-10)8-12-14(19)16(15(22)23-12)6-5-13(17)18/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)

InChI Key

BSEGYGDDEWQDQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

-0.636

Water Solubility, LogSw

-2.45

Polar Surface Area

60.250

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

4670-0315 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4670-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4670-0315?
Check Price and Availability of 4670-0315, 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 4670-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4670-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4670-0315
  • 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 4670-0315 available by request