4790-0071 Screening compound: 3-[(5E)-4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

4790-0071 Screening compound: 3-[(5E)-4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
4790-0071 Screening compound: 3-[(5E)-4-oxo-5-[(pyridin-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4790-0071
3-[(5E)-4-oxo-5-[(pyridin-4-yl)methylidene]-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

4790-0071

Molecular Formula

C12H10N2O3S2 (C12 H10 N2 O3 S2)

Compound Name

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

IUPAC name

n/a

SMILES

OC(CCN(C(/C(/S1)=C\c2ccncc2)=O)C1=S)=O

InChI

InChI=1S/C12H10N2O3S2/c15-10(16)3-6-14-11(17)9(19-12(14)18)7-8-1-4-13-5-2-8/h1-2,4-5,7H,3,6H2,(H,15,16)

InChI Key

UBLZDBJNBXCPKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01869208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.502

Distribution Coefficient, logD

-2.031

Water Solubility, LogSw

-1.40

Polar Surface Area

54.504

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4790-0071 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 4790-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4790-0071?
Check Price and Availability of 4790-0071, 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 4790-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4790-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4790-0071
  • 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 4790-0071 available by request