3448-0931 Screening compound: 3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one

3448-0931 Screening compound: 3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one
3448-0931 Screening compound: 3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-0931
3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one

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

3448-0931

Molecular Formula

C16H9N3O5S2 (C16 H9 N3 O5 S2)

Compound Name

3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(5Z)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-5-nitro-23-dihydro-1H-indol-2-one

SMILES

[O-][N+](c(cc1)cc(/C2=C(\C(N3Cc4ccco4)=O)/SC3=S)c1NC2=O)=O

InChI

InChI=1S/C16H9N3O5S2/c20-14-12(10-6-8(19(22)23)3-4-11(10)17-14)13-15(21)18(16(25)26-13)7-9-2-1-5-24-9/h1-6H,7H2,(H,17,20)

InChI Key

LFTPPMYCFCQNKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-3.42

Polar Surface Area

82.816

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 3448-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-0931?
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What is the minimum amount of 3448-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-0931
  • 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 3448-0931 available by request