4482-4122 Screening compound: 2-[(5E)-5-[(6-methyl-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

4482-4122 Screening compound: 2-[(5E)-5-[(6-methyl-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
4482-4122 Screening compound: 2-[(5E)-5-[(6-methyl-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4482-4122
2-[(5E)-5-[(6-methyl-2H-1,3-benzodioxol-5-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

4482-4122

Molecular Formula

C14H11NO5S2 (C14 H11 NO5 S2)

Compound Name

2-[(5E)-5-[(6-methyl-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-[(6-methyl-2H-13-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

Cc1c(/C=C(\C(N2CC(O)=O)=O)/SC2=S)cc2OCOc2c1

InChI

InChI=1S/C14H11NO5S2/c1-7-2-9-10(20-6-19-9)3-8(7)4-11-13(18)15(5-12(16)17)14(21)22-11/h2-4H,5-6H2,1H3,(H,16,17)

InChI Key

OFGUTCFDVZSLKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.390

Distribution Coefficient, logD

-1.729

Water Solubility, LogSw

-1.86

Polar Surface Area

62.213

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 4482-4122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4482-4122?
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What is the minimum amount of 4482-4122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4482-4122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4482-4122
  • 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 4482-4122 available by request