Y010-1880 Screening compound: 2-[(5E)-5-({1-[(2,4-dichlorophenyl)methyl]-1H-indol-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Y010-1880 Screening compound: 2-[(5E)-5-({1-[(2,4-dichlorophenyl)methyl]-1H-indol-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Y010-1880 Screening compound: 2-[(5E)-5-({1-[(2,4-dichlorophenyl)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 Y010-1880
2-[(5E)-5-({1-[(2,4-dichlorophenyl)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

Y010-1880

Molecular Formula

C21H14Cl2N2O3S2 (C21 H14 Cl2 N2 O3 S2)

Compound Name

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

IUPAC name

2-[(5E)-5-({1-[(24-dichlorophenyl)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(ccc(Cl)c3)c3Cl)c3c2cccc3)=O)C1=S)=O

InChI

InChI=1S/C21H14Cl2N2O3S2/c22-14-6-5-12(16(23)8-14)9-24-10-13(15-3-1-2-4-17(15)24)7-18-20(28)25(11-19(26)27)21(29)30-18/h1-8,10H,9,11H2,(H,26,27)

InChI Key

JUKSUNYIADUDOH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.39

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

4.332

Distribution Coefficient, logD

1.213

Water Solubility, LogSw

-4.26

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 Y010-1880 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1880
  • 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 Y010-1880 available by request