5885-0368 Screening compound: methyl 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

5885-0368 Screening compound: methyl 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
5885-0368 Screening compound: methyl 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5885-0368
methyl 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

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

5885-0368

Molecular Formula

C14H12N2O8S (C14 H12 N2 O8 S)

Compound Name

methyl 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

IUPAC name

methyl 2-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]acetate

SMILES

COC(CN(C(/C(/S1)=C/c(cc2[N+]([O-])=O)cc(OC)c2O)=O)C1=O)=O

InChI

InChI=1S/C14H12N2O8S/c1-23-9-4-7(3-8(12(9)18)16(21)22)5-10-13(19)15(14(20)25-10)6-11(17)24-2/h3-5,18H,6H2,1-2H3

InChI Key

JVBKBXDFLJSEDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.32

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.695

Distribution Coefficient, logD

0.621

Water Solubility, LogSw

-1.93

Polar Surface Area

106.636

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5885-0368 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5885-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5885-0368?
Check Price and Availability of 5885-0368, 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 5885-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5885-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5885-0368
  • 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 5885-0368 available by request