1588-0397 Screening compound: 3-(5-{[(5E)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

1588-0397 Screening compound: 3-(5-{[(5E)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
1588-0397 Screening compound: 3-(5-{[(5E)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0397
3-(5-{[(5E)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic 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

1588-0397

Molecular Formula

C21H13NO5S (C21 H13 NO5 S)

Compound Name

3-(5-{[(5E)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

3-(5-{[(5E)-24-dioxo-3-phenyl-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

OC(c1cccc(-c2ccc(/C=C(\C(N3c4ccccc4)=O)/SC3=O)o2)c1)=O

InChI

InChI=1S/C21H13NO5S/c23-19-18(28-21(26)22(19)15-7-2-1-3-8-15)12-16-9-10-17(27-16)13-5-4-6-14(11-13)20(24)25/h1-12H,(H,24,25)

InChI Key

GEYUYMIKXNQPKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00652335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

1.194

Water Solubility, LogSw

-4.59

Polar Surface Area

64.962

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1588-0397 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Integrin Receptors Targeted library (1715 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 1588-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0397?
Check Price and Availability of 1588-0397, 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 1588-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0397
  • 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 1588-0397 available by request