3453-0001 Screening compound: 2-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

3453-0001 Screening compound: 2-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
3453-0001 Screening compound: 2-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-0001
2-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic 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

3453-0001

Molecular Formula

C16H15NO7S2 (C16 H15 NO7 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(/C(N1C(CCC(O)=O)C(O)=O)=O)\SC1=S)cc1)c1O

InChI

InChI=1S/C16H15NO7S2/c1-24-11-6-8(2-4-10(11)18)7-12-14(21)17(16(25)26-12)9(15(22)23)3-5-13(19)20/h2,4,6-7,9,18H,3,5H2,1H3,(H,19,20)(H,22,23)/t9-/m0/s1

InChI Key

UMYYNCKLFGSTRQ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02077633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.242

Distribution Coefficient, logD

-2.896

Water Solubility, LogSw

-1.88

Polar Surface Area

96.610

Acid Dissociation Constant (pKa)

4.26

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3453-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-0001?
Check Price and Availability of 3453-0001, 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 3453-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-0001
  • 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 3453-0001 available by request