2534-6504 Screening compound: 4-{[(5Z)-3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

2534-6504 Screening compound: 4-{[(5Z)-3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
2534-6504 Screening compound: 4-{[(5Z)-3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2534-6504
4-{[(5Z)-3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic 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

2534-6504

Molecular Formula

C18H11N3O6S2 (C18 H11 N3 O6 S2)

Compound Name

4-{[(5Z)-3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

IUPAC name

4-{[(5Z)-3-(2-nitrobenzamido)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}benzoic acid

SMILES

[O-][N+](c(cccc1)c1C(NN(C(/C(/S1)=C/c(cc2)ccc2C(O)=O)=O)C1=S)=O)=O

InChI

InChI=1S/C18H11N3O6S2/c22-15(12-3-1-2-4-13(12)21(26)27)19-20-16(23)14(29-18(20)28)9-10-5-7-11(8-6-10)17(24)25/h1-9H,(H,19,22)(H,24,25)

InChI Key

MTLOMBURWFELES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.43

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.567

Distribution Coefficient, logD

-1.040

Water Solubility, LogSw

-3.09

Polar Surface Area

104.332

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2534-6504 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2534-6504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2534-6504?
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What is the minimum amount of 2534-6504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2534-6504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2534-6504
  • 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 2534-6504 available by request