1682-6956 Screening compound: 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

1682-6956 Screening compound: 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
1682-6956 Screening compound: 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-6956
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic 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

1682-6956

Molecular Formula

C15H13NO6S2 (C15 H13 NO6 S2)

Compound Name

2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

IUPAC name

2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanedioic acid

SMILES

COc1ccc(/C=C(/C(N2C(CC(O)=O)C(O)=O)=O)\SC2=S)cc1

InChI

InChI=1S/C15H13NO6S2/c1-22-9-4-2-8(3-5-9)6-11-13(19)16(15(23)24-11)10(14(20)21)7-12(17)18/h2-6,10H,7H2,1H3,(H,17,18)(H,20,21)/t10-/m0/s1

InChI Key

OABCUNHCFKFKAY-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00386454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.765

Distribution Coefficient, logD

-2.527

Water Solubility, LogSw

-1.85

Polar Surface Area

79.975

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

1682-6956 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-6956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-6956?
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What is the minimum amount of 1682-6956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-6956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-6956
  • 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 1682-6956 available by request