5885-0073 Screening compound: 2-(5-{[(5E)-3-(1-ethoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

5885-0073 Screening compound: 2-(5-{[(5E)-3-(1-ethoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
5885-0073 Screening compound: 2-(5-{[(5E)-3-(1-ethoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5885-0073
2-(5-{[(5E)-3-(1-ethoxy-1-oxopropan-2-yl)-2,4-dioxo-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

5885-0073

Molecular Formula

C20H17NO7S (C20 H17 NO7 S)

Compound Name

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

IUPAC name

2-(5-{[(5E)-3-(1-ethoxy-1-oxopropan-2-yl)-24-dioxo-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CCOC(C(C)N(C(/C(/S1)=C\c2ccc(-c(cccc3)c3C(O)=O)o2)=O)C1=O)=O

InChI

InChI=1S/C20H17NO7S/c1-3-27-19(25)11(2)21-17(22)16(29-20(21)26)10-12-8-9-15(28-12)13-6-4-5-7-14(13)18(23)24/h4-11H,3H2,1-2H3,(H,23,24)/t11-/m0/s1

InChI Key

MRLTXEYLPCUWFS-NSHDSACASA-N

MDL Number (MFCD)

MFCD03696866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

-0.594

Water Solubility, LogSw

-3.58

Polar Surface Area

85.940

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5885-0073 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 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 5885-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5885-0073?
Check Price and Availability of 5885-0073, 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 5885-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5885-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5885-0073
  • 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 5885-0073 available by request