4588-1460 Screening compound: 2-[(5E)-5-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

4588-1460 Screening compound: 2-[(5E)-5-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
4588-1460 Screening compound: 2-[(5E)-5-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4588-1460
2-[(5E)-5-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-4-oxo-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

4588-1460

Molecular Formula

C21H15FN2O3S2 (C21 H15 FN2 O3 S2)

Compound Name

2-[(5E)-5-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C\c2cn(Cc(cc3)ccc3F)c3c2cccc3)=O)C1=S)=O

InChI

InChI=1S/C21H15FN2O3S2/c22-15-7-5-13(6-8-15)10-23-11-14(16-3-1-2-4-17(16)23)9-18-20(27)24(12-19(25)26)21(28)29-18/h1-9,11H,10,12H2,(H,25,26)

InChI Key

AEAWPFYURWZWJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05066970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

-0.156

Water Solubility, LogSw

-3.04

Polar Surface Area

46.830

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 4588-1460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4588-1460?
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What is the minimum amount of 4588-1460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4588-1460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4588-1460
  • 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 4588-1460 available by request