1682-1788 Screening compound: 2-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid

1682-1788 Screening compound: 2-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid
1682-1788 Screening compound: 2-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-1788
2-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic 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

1682-1788

Molecular Formula

C16H13BrN2O4S3 (C16 H13 BrN2 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

CSCCC(C(O)=O)N(C(/C(/S1)=C(\c(cc(cc2)Br)c2N2)/C2=O)=O)C1=S

InChI

InChI=1S/C16H13BrN2O4S3/c1-25-5-4-10(15(22)23)19-14(21)12(26-16(19)24)11-8-6-7(17)2-3-9(8)18-13(11)20/h2-3,6,10H,4-5H2,1H3,(H,18,20)(H,22,23)/t10-/m0/s1

InChI Key

NRNVVHFJHOAZGF-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00588919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

-0.249

Water Solubility, LogSw

-3.17

Polar Surface Area

69.291

Acid Dissociation Constant (pKa)

4.55

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

1682-1788 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1682-1788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-1788?
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What is the minimum amount of 1682-1788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-1788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-1788
  • 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 1682-1788 available by request