8013-8486 Screening compound: 3-[(5E)-5-[(3-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

8013-8486 Screening compound: 3-[(5E)-5-[(3-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
8013-8486 Screening compound: 3-[(5E)-5-[(3-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8486
3-[(5E)-5-[(3-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-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

8013-8486

Molecular Formula

C14H13NO5S2 (C14 H13 NO5 S2)

Compound Name

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

IUPAC name

3-[(5E)-5-[(3-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

COc1c(/C=C(\C(N2CCC(O)=O)=O)/SC2=S)cccc1O

InChI

InChI=1S/C14H13NO5S2/c1-20-12-8(3-2-4-9(12)16)7-10-13(19)15(14(21)22-10)6-5-11(17)18/h2-4,7,16H,5-6H2,1H3,(H,17,18)

InChI Key

QDGOAWGFXVZNTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.343

Distribution Coefficient, logD

-1.190

Water Solubility, LogSw

-2.16

Polar Surface Area

69.341

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8013-8486 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

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 8013-8486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8486?
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What is the minimum amount of 8013-8486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8486
  • 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 8013-8486 available by request