6025-5077 Screening compound: 2-[(5Z)-4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

6025-5077 Screening compound: 2-[(5Z)-4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
6025-5077 Screening compound: 2-[(5Z)-4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6025-5077
2-[(5Z)-4-oxo-5-[(pyridin-3-yl)methylidene]-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

6025-5077

Molecular Formula

C11H8N2O3S2 (C11 H8 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

OC(CN(C(/C(/S1)=C/c2cnccc2)=O)C1=S)=O

InChI

InChI=1S/C11H8N2O3S2/c14-9(15)6-13-10(16)8(18-11(13)17)4-7-2-1-3-12-5-7/h1-5H,6H2,(H,14,15)

InChI Key

QWRNANMPPBNWBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03297742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.086

Distribution Coefficient, logD

-3.033

Water Solubility, LogSw

-1.23

Polar Surface Area

54.616

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 6025-5077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6025-5077?
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What is the minimum amount of 6025-5077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6025-5077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6025-5077
  • 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 6025-5077 available by request