8007-7071 Screening compound: 2-[(5E)-5-({4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

8007-7071 Screening compound: 2-[(5E)-5-({4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
8007-7071 Screening compound: 2-[(5E)-5-({4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7071
2-[(5E)-5-({4-[(4-nitrophenyl)methoxy]phenyl}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

8007-7071

Molecular Formula

C19H14N2O6S2 (C19 H14 N2 O6 S2)

Compound Name

2-[(5E)-5-({4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-({4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

[O-][N+](c1ccc(COc2ccc(/C=C(\C(N3CC(O)=O)=O)/SC3=S)cc2)cc1)=O

InChI

InChI=1S/C19H14N2O6S2/c22-17(23)10-20-18(24)16(29-19(20)28)9-12-3-7-15(8-4-12)27-11-13-1-5-14(6-2-13)21(25)26/h1-9H,10-11H2,(H,22,23)

InChI Key

ZJSNNQDFIAOOAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

-0.533

Water Solubility, LogSw

-2.87

Polar Surface Area

85.707

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8007-7071 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8007-7071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7071?
Check Price and Availability of 8007-7071, 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 8007-7071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7071
  • 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 8007-7071 available by request