5999-4319 Screening compound: 2-[(5Z)-5-[(3-{4-[(2-fluorophenyl)methoxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

5999-4319 Screening compound: 2-[(5Z)-5-[(3-{4-[(2-fluorophenyl)methoxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
5999-4319 Screening compound: 2-[(5Z)-5-[(3-{4-[(2-fluorophenyl)methoxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5999-4319
2-[(5Z)-5-[(3-{4-[(2-fluorophenyl)methoxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic 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

5999-4319

Molecular Formula

C28H20FN3O4S2 (C28 H20 FN3 O4 S2)

Compound Name

2-[(5Z)-5-[(3-{4-[(2-fluorophenyl)methoxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5Z)-5-[(3-{4-[(2-fluorophenyl)methoxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cccc2)c2F)=O)C1=S)=O

InChI

InChI=1S/C28H20FN3O4S2/c29-23-9-5-4-6-19(23)17-36-22-12-10-18(11-13-22)26-20(15-32(30-26)21-7-2-1-3-8-21)14-24-27(35)31(16-25(33)34)28(37)38-24/h1-15H,16-17H2,(H,33,34)

InChI Key

GYAPMLCZKULZGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03417631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

1.213

Water Solubility, LogSw

-4.37

Polar Surface Area

66.958

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5999-4319 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5999-4319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5999-4319?
Check Price and Availability of 5999-4319, 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 5999-4319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5999-4319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5999-4319
  • 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 5999-4319 available by request