4340-1685 Screening compound: 2-{5-[(3Z)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic acid

4340-1685 Screening compound: 2-{5-[(3Z)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic acid
4340-1685 Screening compound: 2-{5-[(3Z)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-1685
2-{5-[(3Z)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic 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

4340-1685

Molecular Formula

C20H15BrN2O5S3 (C20 H15 BrN2 O5 S3)

Compound Name

2-{5-[(3Z)-1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic acid

IUPAC name

2-{5-[(3Z)-1-benzyl-5-bromo-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}ethane-1-sulfonic acid

SMILES

OS(CCN(C(/C(/S1)=C(\c(cc(cc2)Br)c2N2Cc3ccccc3)/C2=O)=O)C1=S)(=O)=O

InChI

InChI=1S/C20H15BrN2O5S3/c21-13-6-7-15-14(10-13)16(18(24)23(15)11-12-4-2-1-3-5-12)17-19(25)22(20(29)30-17)8-9-31(26,27)28/h1-7,10H,8-9,11H2,(H,26,27,28)

InChI Key

PHFYHKWWMNHULY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02997507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.302

Distribution Coefficient, logD

-7.016

Water Solubility, LogSw

-3.20

Polar Surface Area

75.220

Acid Dissociation Constant (pKa)

-1.92

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 4340-1685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-1685?
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What is the minimum amount of 4340-1685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-1685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-1685
  • 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 4340-1685 available by request