2562-8847 Screening compound: 3-methyl-2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

2562-8847 Screening compound: 3-methyl-2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
2562-8847 Screening compound: 3-methyl-2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2562-8847
3-methyl-2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic 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

2562-8847

Molecular Formula

C14H15NO4S2 (C14 H15 NO4 S2)

Compound Name

3-methyl-2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

IUPAC name

3-methyl-2-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanoic acid

SMILES

CC(C)C(C(O)=O)N(C(/C(/S1)=C/c2ccc(C)o2)=O)C1=S

InChI

InChI=1S/C14H15NO4S2/c1-7(2)11(13(17)18)15-12(16)10(21-14(15)20)6-9-5-4-8(3)19-9/h4-7,11H,1-3H3,(H,17,18)/t11-/m0/s1

InChI Key

YAQFUYCVNCGFPK-NSHDSACASA-N

MDL Number (MFCD)

MFCD01827178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

-0.052

Water Solubility, LogSw

-2.90

Polar Surface Area

51.346

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 2562-8847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2562-8847?
Check Price and Availability of 2562-8847, 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 2562-8847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2562-8847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2562-8847
  • 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 2562-8847 available by request