4340-1683 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}acetic acid

4340-1683 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}acetic acid
4340-1683 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}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-1683
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}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

4340-1683

Molecular Formula

C20H13BrN2O4S2 (C20 H13 BrN2 O4 S2)

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}acetic 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}acetic acid

SMILES

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

InChI

InChI=1S/C20H13BrN2O4S2/c21-12-6-7-14-13(8-12)16(17-19(27)23(10-15(24)25)20(28)29-17)18(26)22(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,24,25)

InChI Key

OPMBYWUSDMJJED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

-0.051

Water Solubility, LogSw

-3.52

Polar Surface Area

60.566

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 4340-1683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-1683?
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What is the minimum amount of 4340-1683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-1683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-1683
  • 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 4340-1683 available by request